SCHEMBL4987125

SCHEMBL4987125

CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.73
CYP3A4 P08684 4/20 0.73
CYP2C9 P11712 4/20 0.73
CYP2C8 P10632 2/20 0.73
CYP26B1 Q9NR63 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP1A2 P05177 1/20 0.73
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL5124051 0.86 CYP26A1 (0.56) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL14957704 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL29567796 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4986664 0.84 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4986024 0.84 RAB9A (0.58) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL9005850 0.83 CYP26A1 (0.73) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL10000095 0.83 CYP26A1 (0.73) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL21020998 0.82 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL3739251 0.82 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL4984008 0.82 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2007-04-19 US claimed
EP-1037629-B1 COMBINATION OF A RETINOIC ACID METABOLISM BLOCKING AGENT AND A TOCOPHEREOL JANSSEN PHARMACEUTICA NV (BE) 2004-10-27 EP claimed
US-20040082557-A1 Methods for treating estrogen-dependent disorders PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US claimed
US-20040024044-A1 Exemestane as chemopreventing agent PHARMACIA ITALIA S.P.A. (IT) 2004-02-05 US claimed
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines VENET MARC GASTON (FR) 2003-09-18 US claimed
EP-0907650-B1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2002-12-04 EP claimed
US-6265425-B1 SIDE EFFECT REDUCTION; RETINOIC ACID METABOLISM BLOCKING AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 2001-07-24 US claimed
EP-1037629-A2 COMBINATION OF A RETINOIC ACID METABOLISM BLOCKING AGENT AND A TOCOPHEREOL JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP claimed
US-6124330-A A RETINOIC MIMETIC COMPOUND FOR TREATING A WARM-BLOODED ANIMAL SUFFERING FROM A DISEASE BY AN ABNORMAL PROLIFERATION AND/OR ABNORMAL DIFFERENTIATION OF NORMAL, PRENEOPLASTIC OR NEOPLASTIC CELLS JANSSEN-CILAG S.A. (FR) 2000-09-26 US claimed
WO-1999032098-A2 COMBINATION OF A RAMBA AND A TOCOPHEROL JANSSEN PHARMACEUTICA N.V. (BE) 1999-07-01 WO claimed
EP-0907650-A1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-04-14 EP claimed
WO-1997049704-A1 N-[4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-12-31 WO claimed
US-7378433-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-27 US disclosed
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2007-04-19 US disclosed
US-7205312-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
EP-1140192-B1 USE OF THE CYCLOOXYGENASE-2 INHIBITOR CELECOXIB AND CAPECITABINE FOR COMBINATION THERAPY IN NEOPLASIA SEARLE LLC (US) 2006-04-05 EP disclosed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO disclosed
WO-1999032098-A2 COMBINATION OF A RAMBA AND A TOCOPHEROL JANSSEN PHARMACEUTICA N.V. (BE) 1999-07-01 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 (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-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP8B1, CYP2S1, CYP2B6 CYP26A1 40/4885CYP3A4 15/4885CYP2C9 16/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP26A1 61/4885CYP3A4 5/4885CYP2C9 4/4885
US-20040082557-A1 Methods for treating estrogen-dependent disorders CYP19A1, BRCA1, ESR2 CYP26A1 367/4885CYP3A4 994/4885CYP2C9 1511/4885

“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.