SCHEMBL25930458

SCHEMBL25930458

CC(=O)Cn1nc(I)c2cc(Br)cc(C(F)(F)F)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPRS1 P07814 1/20 0.34
AR P10275 1/20 0.34
RET P07949 1/20 0.32
PRKX P51817 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
PKM P14618 1/20 0.31
CUL4A Q13619 1/20 0.31
NOTUM Q6P988 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
AKR1B1 P15121 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL20488486 0.91 EPRS1 (0.37) NPC1ALDH1A1SMN1; SMN2EPRS1AR
SCHEMBL28880706 0.86 HDAC6 (0.35) NPC1ALDH1A1EPRS1ARPKM
SCHEMBL25930457 0.81 EPRS1 (0.38) NPC1ALDH1A1MITFS1PR4MAPT
SCHEMBL20488090 0.80 EPRS1 (0.35) ALDH1A1SMN1; SMN2EPRS1RETPRKX
SCHEMBL29468454 0.73 HDAC6 (0.33) EPRS1
SCHEMBL25930475 0.73 HDAC6 (0.33) EPRS1
SCHEMBL20488677 0.73 LMNA (0.43) ALDH1A1RAB9ACYP1A2CYP2C19AKR1B1
SCHEMBL20487380 0.73 LMNA (0.43) ALDH1A1RAB9AAKR1B1
SCHEMBL25316015 0.72 AR (0.33) AR
SCHEMBL25959693 0.71 TP53 (0.34)

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-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 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

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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH NPC1 488/4885ALDH1A1 2338/4885MITF 900/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH NPC1 488/4885ALDH1A1 2338/4885MITF 900/4885

“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.