SCHEMBL6011230

SCHEMBL6011230

Nc1ccc(-c2cccc(C(F)(F)F)c2)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
RORC P51449 2/20 0.51
RORB Q92753 2/20 0.51
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
MAOB P27338 2/20 0.46
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
IKBKB O14920 1/20 0.43
BRD4 O60885 1/20 0.43
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
XDH P47989 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM1A O60341 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 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
SCHEMBL5851547 0.88 TSHR (0.60) TSHRMAPK1RORCRORBADORA2A
SCHEMBL6570672 0.86 TSHR (0.58) TSHRMAPK1RORCRORBADORA2A
SCHEMBL3784775 0.86 TSHR (0.58) TSHRMAPK1RORCRORBADORA2A
Hydrochloric Acid SCHEMBL6572095 0.85 TSHR (0.56) TSHRMAPK1RORCRORBADORA2A
SCHEMBL2573330 0.85 TSHR (0.56) TSHRMAPK1RORCRORBADORA2A
SCHEMBL5687763 0.85 RORB (0.56) TSHRMAPK1RORCRORBADORA2A
SCHEMBL29849001 0.84 TSHR (0.48) TSHRMAPK1RORCRORBGLA
Hydrochloric Acid SCHEMBL5685453 0.83 RORB (0.55) TSHRMAPK1RORCRORBADORA2A
SCHEMBL28676842 0.83 TSHR (0.55) TSHRMAPK1RORCRORBADORA2A
SCHEMBL27387421 0.83 ADORA2A (0.46) TSHRMAPK1RORCRORBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 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 (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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 TSHR 4772/4885MAPK1 116/4885RORC 2531/4885

“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.