SCHEMBL1680443

SCHEMBL1680443

NCc1ccc(CNc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
KMT2A Q03164 1/20 0.58
FFAR1 O14842 2/20 0.55
PTPRF P10586 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
HTT P42858 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2D6 P10635 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
SCHEMBL1680437 0.94 HTT (0.62) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL2065031 0.89 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL1681160 0.86 HTR6 (0.54) CYP1A2CYP2C9CYP2C19FFAR1PTPN1
SCHEMBL21799692 0.86 LOXL2 (0.54) MEN1KMT2ALOXL2HTTCA12
SCHEMBL22628164 0.84 HTT (0.71) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
N-Benzylaniline SCHEMBL7840 0.84 HTT (0.71) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL333550 0.83 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
N-Benzylaniline SCHEMBL3602124 0.81 HTT (0.68) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
N-Benzylaniline SCHEMBL357137 0.81 HTT (0.68) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
N-Benzylaniline SCHEMBL2176624 0.81 HTT (0.68) CYP1A2CYP2C9CYP2C19MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 CYP1A2 147/4885CYP2C9 1072/4885CYP2C19 445/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD CYP1A2 1886/4885CYP2C9 3419/4885CYP2C19 2493/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 CYP1A2 187/4885CYP2C9 1154/4885CYP2C19 541/4885

“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.