SCHEMBL7215334

SCHEMBL7215334

CSc1nccn1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX12 P18054 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 5/20 0.52
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL5801622 0.86 ALDH1A1 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL25723979 0.84 ALDH1A1 (0.61) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7215316 0.83 ALDH1A1 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL10681071 0.80 NPC1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL28802675 0.80 HRH3 (0.49) MEN1KMT2AALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1507763 0.79 CYP19A1 (0.49) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7215496 0.77 HSP90AA1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9837688 0.77 GFER (0.46) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL81625 0.77 LMNA (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4
Benzene SCHEMBL27902631 0.77 LMNA (0.63) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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
CN-101309687-A Hydroxy and alkoxy substituted 1h-imidazoquinolines and methods COLEY PHARM GROUP INC (US) 2008-11-19 CN disclosed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 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 (1 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 MEN1 3300/4885KMT2A 2691/4885ALDH1A1 3218/4885

“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.