SCHEMBL4918939

SCHEMBL4918939

Cc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
AR P10275 3/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIN1 Q13526 1/20 0.40

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
SCHEMBL5362730 0.88 AR (0.44) KMT2AALDH1A1POLBLMNAAR
SCHEMBL24411089 0.86 KMT2A (0.47) KMT2AALDH1A1POLBLMNAAR
SCHEMBL6467825 0.86 KMT2A (0.47) KMT2AALDH1A1POLBLMNAAR
SCHEMBL6469348 0.84 FNTA (0.43) KMT2AALDH1A1POLBLMNAAR
SCHEMBL4921193 0.84 GRIA2 (0.46) KMT2AALDH1A1POLBLMNAAR
SCHEMBL4919125 0.84 GRIA2 (0.46) KMT2AALDH1A1LMNAARMAPT
SCHEMBL6465908 0.84 ALDH1A1 (0.71) KMT2AALDH1A1POLBLMNAAR
SCHEMBL5355574 0.83 GYS1 (0.40) KMT2AALDH1A1POLBLMNAAR
SCHEMBL4918840 0.82 FASN (0.39) KMT2AALDH1A1POLBLMNAAR
SCHEMBL4918452 0.82 GRIA2 (0.42) KMT2AALDH1A1POLBLMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144809-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-05-12 US disclosed
WO-2022098544-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-05-12 WO disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20220144809-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE AR, ADRM1, CRBN KMT2A 1886/4885ALDH1A1 1867/4885POLB 2720/4885
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR KMT2A 2015/4885ALDH1A1 2144/4885POLB 3507/4885
US-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R KMT2A 1736/4885ALDH1A1 408/4885POLB 3551/4885

“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.