SCHEMBL94334

SCHEMBL94334

[CH2]c1ccccc1C(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 3/20 0.61
METAP2 P50579 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX12 P18054 1/20 0.59
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
BCAT2 O15382 2/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL437231 0.85 ALDH1A1 (0.87) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL11266259 0.83 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL11266257 0.83 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL2307415 0.81 RAB9A (0.68) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL2308674 0.81 FADS1 (0.70) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL2304215 0.81 MEN1 (0.70) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL10055004 0.79 MEN1 (0.71) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL1991348 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL1017795 0.79 CYP3A4 (0.89) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL45299 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHPGDHTT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN disclosed
EP-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
EP-1730228-A1 NANO-COMPOSITE AND METHOD THEREOF Bridgestone Corporation (JP) 2006-12-13 EP disclosed
US-20060173115-A1 Nano-composite and compositions manufactured thereof BRIDGESTONE CORPORATION (JP) 2006-08-03 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005095506-A1 NANO-COMPOSITE AND METHOD THEREOF BRIDGESTONE CORPORATION (JP) 2005-10-13 WO 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 (3 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MEN1 3912/4885KMT2A 2732/4885
US-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 ALDH1A1 586/4885MEN1 2850/4885KMT2A 761/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 ALDH1A1 2399/4885MEN1 1435/4885KMT2A 2967/4885

“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.