SCHEMBL8599765

SCHEMBL8599765

ClCCN(CCCl)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
EGFR P00533 5/20 0.46
ERBB2 P04626 5/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HIF1A Q16665 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
THPO P40225 2/20 0.46
PMP22 Q01453 2/20 0.46
GMNN O75496 1/20 0.46
CYP2D6 P10635 1/20 0.46
GABRA1 P14867 1/20 0.46
TSHR P16473 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL1269424 0.78 CYP3A4 (0.54) KMT2AEGFRERBB2LMNASMN1; SMN2
SCHEMBL5987618 0.78 EGFR (0.44) KMT2AEGFRERBB2LMNASMN1; SMN2
SCHEMBL9889321 0.78 CNR2 (0.53) KMT2AEGFRERBB2LMNASMN1; SMN2
SCHEMBL1234089 0.78 KMT2A (0.57) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL14714244 0.78 HDAC6 (0.45) KMT2AEGFRERBB2LMNASMN1; SMN2
SCHEMBL6744975 0.78 EGFR (0.44) KMT2AEGFRERBB2LMNASMN1; SMN2
SCHEMBL7790003 0.78 CNR2 (0.46) EGFRERBB2LMNAALDH1A1MAPT
SCHEMBL905253 0.78 EGFR (0.49) KMT2AEGFRERBB2LMNASMN1; SMN2
SCHEMBL1233424 0.78 LMNA (0.38) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL28878101 0.78 ALDH1A1 (0.52) KMT2AEGFRERBB2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 EP 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-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 KMT2A 113/4885EGFR 4386/4885ERBB2 3783/4885

“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.