SCHEMBL28668

SCHEMBL28668

[CH2]c1cccc(N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
NOTUM Q6P988 2/20 0.43
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
APP P05067 2/20 0.38
TERT O14746 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL4391221 0.81 ALDH1A1 (0.67) ALDH1A1TSHRNOTUMHSD17B10ALOX15
SCHEMBL6317585 0.79 CHKA (0.43) ALDH1A1TSHRSMN1; SMN2KMT2AMAPK1
SCHEMBL2091963 0.78 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28076670 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10ALOX15NPC1
SCHEMBL5543390 0.76 PNPLA2 (0.49) ALDH1A1TSHRHSD17B10ALOX15APP
SCHEMBL401001 0.75 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10ALOX15TERT
SCHEMBL2531801 0.74 BRD4 (0.42) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11793161 0.74 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL30602821 0.74 ALDH1A1 (0.58) ALDH1A1TSHRNOTUMHSD17B10ALOX15
SCHEMBL2083140 0.73 ALDH1A1 (0.52) ALDH1A1TSHRNOTUMHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 EP claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
US-5629319-A QUINDOLINE ALKALOIDS SHAMAN PHARMACEUTICALS, INC. (US) 1997-05-13 US claimed
US-5616578-A Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-01 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
WO-1996009823-A9 HYPOGLYCEMIC AGENT FROM CRYPTOLEPIS 1996-05-23 WO claimed
US-5506355-A REACTING DIAMINE HAVING DIOL PROTECTED WITH CYCLIC ACETAL GROUP IN SOLVENT WITH HINDERED AMINE BASE AND SULFONYL GROUP PRECURSOR, ALKYLATING IN PRESENCE OF BASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-09 US claimed
WO-1996009823-A1 HYPOGLYCEMIC AGENT FROM CRYPTOLEPIS SHAMAN PHARMACEUTICALS, INC. (US) 1996-04-04 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 ALDH1A1 3813/4885TSHR 2042/4885NOTUM 4231/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ALDH1A1 3857/4885TSHR 2088/4885NOTUM 4026/4885

“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.