SCHEMBL4902504

SCHEMBL4902504

CNCc1cc(-c2ccccc2)on1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
NOTUM Q6P988 1/20 0.62
NPC1 O15118 5/20 0.50
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
PPARA Q07869 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL4104166 0.84 RAB9A (0.46) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL1545508 0.83 SOS1 (0.58) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL17788606 0.82 NOTUM (0.57) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL10274629 0.80 NOTUM (0.68) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL31686265 0.78 NOTUM (0.59) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL28319063 0.77 NOTUM (0.64) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL14552880 0.77 RAB9A (0.67) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL17790250 0.77 EPHX2 (0.53) RAB9ASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL1544128 0.77 NOTUM (1.00) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL3396472 0.77 NOTUM (0.68) RAB9ASMN1; SMN2ALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO 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 (3 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 RAB9A 1385/4885SMN1; SMN2 834/4885ALDH1A1 3223/4885
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 USP30, USP39, USP28 RAB9A 3387/4885SMN1; SMN2 2947/4885ALDH1A1 1180/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B RAB9A 1245/4885SMN1; SMN2 2362/4885ALDH1A1 130/4885

“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.