SCHEMBL2996044

SCHEMBL2996044

COC(=O)N(CCc1ccccc1Br)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL534708 0.86 TAAR1 (0.50) HDAC1HDAC6TAAR1MEN1KMT2A
SCHEMBL6110843 0.82 HDAC1 (0.47) HDAC1HDAC6EGFRERBB2LPAR1
SCHEMBL1847562 0.81 KMT2A (0.46) HDAC1HDAC6TAAR1MEN1KMT2A
SCHEMBL2996239 0.80 TAAR1 (0.45) TAAR1MEN1KMT2AHPGDTSHR
SCHEMBL3003719 0.80 TAAR1 (0.45) TAAR1EGFRERBB2LMNA
SCHEMBL4018145 0.79 LMNA (0.56) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL9574969 0.78 HDAC1 (0.49) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL18154102 0.78 HDAC1 (0.51) HDAC1HDAC6ALDH1A1LMNANPSR1
SCHEMBL2188007 0.76 HDAC6 (0.56) HDAC1HDAC6HPGDLPAR1LPAR5
SCHEMBL29154704 0.76 TDP1 (0.49) HDAC1HDAC6MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 HDAC1 139/4885HDAC6 98/4885TAAR1 1133/4885

“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.