SCHEMBL19983333

SCHEMBL19983333

CNc1cc(OCc2ccccc2)c(OC)cc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRD5A1 P18405 2/20 0.48
SRD5A2 P31213 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
RXRA P19793 1/20 0.48
ATM Q13315 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
SCHEMBL874091 0.83 HTT (0.55) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL159448 0.83 HTT (0.55) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL1319808 0.82 KDM4E (0.50) LMNAHTTHPGDALDH1A1KDM4E
SCHEMBL7048751 0.82 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL1656948 0.82 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL8039259 0.81 LMNA (0.51) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL28964103 0.81 LMNA (0.47) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL30211021 0.81 CTSV (0.60) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL873729 0.78 MEN1 (0.57) SMPD1HDAC1HDAC8HDAC6CTSV
SCHEMBL160400 0.78 MEN1 (0.57) SMPD1HDAC1HDAC8HDAC6CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-03-22 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-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 SMPD1 4203/4885HDAC1 849/4885HDAC8 1313/4885

“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.