SCHEMBL4880191

SCHEMBL4880191

Nc1c(Br)cc(Br)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
HKDC1 Q2TB90 1/20 0.53
CASP6 P55212 2/20 0.46
MAPT P10636 5/20 0.42
GAA P10253 2/20 0.42
EP300 Q09472 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
HTT P42858 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
PRNP P04156 2/20 0.38
KDM4E B2RXH2 5/20 0.36
CASP7 P55210 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLA P06280 2/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL30064912 1.00 CTSB (0.55) CTSBHKDC1CASP6MAPTGAA
SCHEMBL11232707 0.83 CTSB (0.44) CTSBHKDC1CASP6MAPTGAA
SCHEMBL11672934 0.83 CTSB (0.53) CTSBHKDC1CASP6MAPTGAA
SCHEMBL20788050 0.79 CTSB (0.50) CTSBHKDC1CASP6MAPTGAA
SCHEMBL31365423 0.79 CTSB (0.50) CTSBHKDC1CASP6MAPTGAA
SCHEMBL10063601 0.79 CTSB (0.50) CTSBHKDC1CASP6MAPTGAA
SCHEMBL31504733 0.79 CTSB (0.50) CTSBHKDC1CASP6MAPTGAA
SCHEMBL11796322 0.79 CTSB (0.42) CTSBHKDC1CASP6MAPTGAA
SCHEMBL9990219 0.79 EP300 (0.48) CTSBHKDC1MAPTEP300SMN1; SMN2
SCHEMBL3267567 0.79 CTSB (0.42) CTSBHKDC1CASP6MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 US disclosed
EP-4501932-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2025-02-05 EP disclosed
EP-3880208-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-11-20 EP disclosed
CN-118265737-A Triarylamine high molecular weight compound and organic electroluminescent element 保土谷化学工业株式会社 2024-06-28 CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-11932633-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2024-03-19 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
WO-2008030226-A1 3H-NAPHTH0 [2, 1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2008-03-13 WO disclosed
WO-2008028930-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2, 1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2008-03-13 WO disclosed
WO-2008029194-A1 6-(BIPHENYL-ESTER) -3H-NAPHTHO [2, 1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM Essilor International (Compagnie Générale d'Optique) (FR) 2008-03-13 WO disclosed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 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 (7 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 CTSB 2931/4885HKDC1 573/4885CASP6 3220/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA CTSB 2995/4885HKDC1 471/4885CASP6 3424/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 CTSB 2931/4885HKDC1 573/4885CASP6 3220/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CTSB 1394/4885HKDC1 772/4885CASP6 3115/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 CTSB 1358/4885HKDC1 4054/4885CASP6 1899/4885
US-11932633-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CTSB 1394/4885HKDC1 772/4885CASP6 3115/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CTSB 1394/4885HKDC1 772/4885CASP6 3115/4885

“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.