Sugi Predict

Sugi Predict / Compounds / SCHEMBL3845233

SCHEMBL3845233

SCHEMBL3845233

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1cccc(C(=O)N(C)CCCN(C)C)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASR P41180 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL3848089 0.95 RAB9A (0.42) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3847853 0.93 CASP1 (0.38) RAB9AALDH1A1HPGDMEN1NPC1
SCHEMBL3845202 0.92 RAB9A (0.42) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3845190 0.91 RAB9A (0.43) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3845175 0.90 RAB9A (0.41) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4494450 0.88 BRD4 (0.38) RAB9AALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL4494447 0.88 BRD4 (0.38) RAB9AALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL3845027 0.88 MCHR1 (0.39) RAB9AALDH1A1HPGDMEN1NPC1
SCHEMBL6629085 0.88 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3847370 0.88 ABL1 (0.49) RAB9AALDH1A1HPGDCASRMEN1

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
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 — — EP disclosed
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — US disclosed
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 — — US disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 — — US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 — — 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 (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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 RAB9A 2271/4885ALDH1A1 1526/4885CYP1A2 512/4885
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 RAB9A 3414/4885ALDH1A1 116/4885CYP1A2 318/4885
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 RAB9A 3294/4885ALDH1A1 110/4885CYP1A2 329/4885

“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.