SCHEMBL2625550

SCHEMBL2625550

Cc1cccc(NC(=O)NC(C)C)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
PKM P14618 1/20 0.59
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GBA1 P04062 1/20 0.54
MAPK1 P28482 1/20 0.54

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
Benzene SCHEMBL11580794 0.98 KMT2A (0.64) KMT2AMEN1MAPTCA12CA1
Toluene SCHEMBL11581740 0.95 KMT2A (0.65) KMT2AMEN1MAPTCA12CA1
SCHEMBL11583650 0.90 KMT2A (0.56) KMT2AMEN1MAPTCA12CA1
SCHEMBL27133210 0.85 SMN1; SMN2 (0.66) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL28779256 0.85 SMN1; SMN2 (0.66) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL29771178 0.85 SMN1; SMN2 (0.66) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL29703055 0.85 SMN1; SMN2 (0.77) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
SCHEMBL4416620 0.85 SMN1; SMN2 (0.77) KMT2AMEN1MAPTHSD17B10SMN1; SMN2
Toluene SCHEMBL11580651 0.84 HSD17B10 (0.62) KMT2AMEN1MAPTCA12CA1
SCHEMBL12978424 0.84 KMT2A (0.67) KMT2AMEN1MAPTCA12CA1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES UNIVERSITé LAVAL (CA) 2021-06-03 US disclosed
EP-3819298-A1 COMPOUND HAVING TRKA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR ALLEVIATING PAIN, CONTAINING SAME AS ACTIVE INGREDIENT Oncopharmatech Inc. (KR) 2021-05-12 EP disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2012002502-A1 DIHYDROPYRIMIDINONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 (JP) 2012-01-05 WO disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US 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 (9 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 KMT2A 1335/4885MEN1 4550/4885MAPT 3963/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KMT2A 4617/4885MEN1 4825/4885MAPT 3547/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KMT2A 3974/4885MEN1 4815/4885MAPT 4416/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 KMT2A 3181/4885MEN1 3536/4885MAPT 2188/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885MAPT 2731/4885
US-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES NOS3, NOS2, CBS KMT2A 4621/4885MEN1 4239/4885MAPT 2476/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KMT2A 4464/4885MEN1 4800/4885MAPT 4477/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS KMT2A 4464/4885MEN1 4800/4885MAPT 4477/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885MAPT 2731/4885

“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.