SCHEMBL20328993

SCHEMBL20328993

Cc1ccc(C)c(NC(=O)C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ATM Q13315 1/20 0.40
NOS1 P29475 1/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL20328990 0.83 TSHR (0.46) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL20328992 0.83 TSHR (0.43) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL20328989 0.79 ALDH1A1 (0.51) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL20328991 0.78 MAPT (0.39) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL20328988 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL19699601 0.74 MAPK1 (0.41) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL19728695 0.74 SMN1; SMN2 (0.65) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL19780269 0.72 RAB9A (0.43) ALDH1A1MAPTTSHRNPSR1HSD17B10
SCHEMBL15849239 0.72 CCR1 (0.33) HSD17B10KDM4EHPGDRAB9AKMT2A
SCHEMBL24598576 0.71 RAB9A (0.68) MAPTTSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 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 (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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 3904/4885MAPT 3729/4885TSHR 2042/4885
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ALDH1A1 4405/4885MAPT 3578/4885TSHR 3838/4885

“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.