SCHEMBL1702974

SCHEMBL1702974

O=C(CSc1ccccc1-c1cccc2ccccc12)Nc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
APOBEC3A P31941 1/20 0.49
HTT P42858 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL1702460 0.77 KMT2A (0.55) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL31236795 0.76 KMT2A (0.59) MAPTNPC1ALDH1A1KMT2AKDM4E
SCHEMBL28516901 0.74 STAT3 (0.58) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL5822479 0.73 MAPT (0.49) MAPTNPC1ALDH1A1KMT2AKDM4E
SCHEMBL28522122 0.72 KDM4E (0.61) MAPTNPC1ALDH1A1KMT2AKDM4E
SCHEMBL1702494 0.71 ALDH1A1 (0.64) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2111940 0.70 KMT2A (0.68) MAPTNPC1ALDH1A1KMT2AKDM4E
SCHEMBL9311985 0.68 KMT2A (0.75) NPC1ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL27491350 0.67 CYP1A2 (0.70) MAPTNPC1ALDH1A1KMT2AKDM4E
SCHEMBL12127531 0.67 ALDH1A1 (0.74) MAPTNPC1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 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 (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-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 MAPT 3187/4885NPC1 2263/4885ALDH1A1 1533/4885

“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.