SCHEMBL20328992

SCHEMBL20328992

CCc1ccc(C)nc1NC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40
ADORA1 P30542 1/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
NOS1 P29475 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MLYCD O95822 1/20 0.37

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
SCHEMBL20328988 0.84 SMN1; SMN2 (0.43) TSHRALDH1A1MAPTNPSR1KMT2A
SCHEMBL20328993 0.83 ALDH1A1 (0.45) TSHRALDH1A1MAPTNPSR1KMT2A
SCHEMBL25954765 0.82 TSHR (0.40) TSHRALDH1A1MAPTNPSR1KMT2A
SCHEMBL25929355 0.80 TSHR (0.44) TSHRALDH1A1MAPTKMT2AHPGD
SCHEMBL20328990 0.80 TSHR (0.46) TSHRALDH1A1MAPTNPSR1KMT2A
SCHEMBL18550647 0.77 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL20328989 0.76 ALDH1A1 (0.51) TSHRALDH1A1MAPTNPSR1HPGD
SCHEMBL19780268 0.76 RAB9A (0.38) TSHRALDH1A1MAPTKMT2AMEN1
SCHEMBL20328991 0.75 MAPT (0.39) TSHRALDH1A1MAPTNPSR1ATM
SCHEMBL13045062 0.75 ESR1 (0.41) ALDH1A1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 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 (5 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 2042/4885ALDH1A1 3904/4885MAPT 3729/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 1662/4885ALDH1A1 2338/4885MAPT 4491/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TSHR 1662/4885ALDH1A1 2338/4885MAPT 4491/4885
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TSHR 3838/4885ALDH1A1 4405/4885MAPT 3578/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TSHR 3838/4885ALDH1A1 4405/4885MAPT 3578/4885

“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.