SCHEMBL3786945

SCHEMBL3786945

CC(=O)c1cc(-c2ccc(N)cc2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 1/20 0.57
GFER P55789 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
IKBKB O14920 1/20 0.53
TDP1 Q9NUW8 4/20 0.46
MCL1 Q07820 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HDAC2 Q92769 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
CYP3A4 P08684 3/20 0.42

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
SCHEMBL3618305 0.92 KMT2A (0.65) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL28051621 0.87 KMT2A (0.45) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL31570070 0.87 IKBKB (0.71) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL3792022 0.87 IKBKB (0.71) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL18070541 0.85 KDM4E (0.53) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL3791264 0.85 PPM1B (0.50) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL3781881 0.84 MCL1 (0.57) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL1682394 0.84 KMT2A (0.63) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL31268209 0.84 KMT2A (0.63) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL3794862 0.82 IKBKB (0.76) KMT2AKDM4EGFERRXFP1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0454590-B1 Polyimide optical waveguide NIPPON TELEGRAPH & TELEPHONE (JP) 1996-06-26 EP disclosed
US-5108201-A From 3,3'-diamino-2,2'-bis(trifluoromethyl)biphenyl monomer NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1992-04-28 US disclosed
EP-0454590-A2 Polyimide optical waveguide NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-10-30 EP disclosed
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4082739-A FIBRE-REACTIVE DYESTUFF CONTAINING A BIS-TRIAZINYLAMINO CIBA-GEIGY AG (CH) 1978-04-04 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-3947407-A ANTHRAQUINONE DYE CIBA-GEIGY AG (CH) 1976-03-30 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KMT2A 1474/4885KDM4E 2606/4885GFER 2002/4885

“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.