SCHEMBL606264

SCHEMBL606264

Clc1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
CHRM2 P08172 1/20 0.57
BCHE P06276 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
ATM Q13315 1/20 0.53
VEGFA P15692 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
MAOA P21397 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
Hydrochloric Acid SCHEMBL8493136 0.98 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL415949 0.90 CHRM2 (0.67) ALDH1A1MEN1KMT2ATDP1CHRM2
Hydrochloric Acid SCHEMBL7695180 0.87 CHRM2 (0.64) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL10054993 0.87 MEN1 (0.74) MEN1KMT2ATDP1CHRM2BCHE
SCHEMBL10873892 0.86 SIGMAR1 (0.52) MEN1KMT2ABCHESIGMAR1TMEM97
SCHEMBL8127992 0.86 BCHE (0.74) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL22495461 0.86 BCHE (0.74) ALDH1A1MEN1KMT2ATDP1CHRM2
Hydrochloric Acid SCHEMBL9479829 0.85 CHRM2 (0.61) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL1654 0.84 MEN1 (0.78) MEN1KMT2ATDP1CHRM2BCHE
SCHEMBL5799878 0.84 MEN1 (0.78) MEN1KMT2ATDP1CHRM2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447334-A Method for efficiently synthesizing alpha-amino acetal 南京工业大学 2024-01-26 CN claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
CN-117447334-A Method for efficiently synthesizing alpha-amino acetal 南京工业大学 2024-01-26 CN disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 EP disclosed
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 WO disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
CN-105531273-A Bromodomain inhibitors ABBVIE INC 2016-04-27 CN disclosed
WO-2014206345-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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 (2 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 ALDH1A1 1235/4885MEN1 2694/4885KMT2A 2853/4885
US-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 ALDH1A1 2088/4885MEN1 2984/4885KMT2A 724/4885

“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.