SCHEMBL4461793

SCHEMBL4461793

CCOC(=O)C(N)c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TSHR P16473 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
POLB P06746 2/20 0.37
NLRP3 Q96P20 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3972316 0.98 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1GAACDC7
SCHEMBL1433150 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1GAACDC7
Methane SCHEMBL11679474 0.82 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1GAACDC7
Hydrochloric Acid SCHEMBL28669566 0.82 ADORA3 (0.38) SMN1; SMN2GAARAB9ATSHRADORA3
SCHEMBL11680658 0.82 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1GAACDC7
SCHEMBL3243742 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1GAARAB9A
SCHEMBL5390729 0.76 KMT2A (0.40) SMN1; SMN2KMT2AMEN1GAACDC7
Hydrochloric Acid SCHEMBL5966969 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1GAARAB9A
SCHEMBL26670579 0.76 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AMEN1GAARAB9A
SCHEMBL12862672 0.76 NLRP3 (0.41) SMN1; SMN2KMT2AMEN1GAACDC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591341-B2 Bicyclic and tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-02-28 US disclosed
US-20200361947-A1 BICYCLIC AND TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-11-19 US disclosed
WO-2020214728-A1 BICYCLIC AND TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 US disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 US disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 US disclosed
US-9540394-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-01-10 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
CN-1241909-C Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
CN-1418187-A Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2003-05-14 CN disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR SMN1; SMN2 4382/4885KMT2A 4027/4885MEN1 4055/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 SMN1; SMN2 4598/4885KMT2A 4130/4885MEN1 2412/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 SMN1; SMN2 4666/4885KMT2A 4182/4885MEN1 2555/4885
US-20200361947-A1 BICYCLIC AND TRICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 SMN1; SMN2 972/4885KMT2A 3587/4885MEN1 376/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC SMN1; SMN2 1529/4885KMT2A 1712/4885MEN1 2017/4885
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI SMN1; SMN2 2205/4885KMT2A 4669/4885MEN1 1427/4885
US-11591341-B2 Bicyclic and tricyclic compounds SLC10A1, PKD1, CYP11B2 SMN1; SMN2 972/4885KMT2A 3587/4885MEN1 376/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.