SCHEMBL6414355

SCHEMBL6414355

Cc1c(N)ccc(Cl)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 9/20 0.42
TSHR P16473 7/20 0.42
PIK3CA P42336 1/20 0.42
TP53 P04637 2/20 0.33
ADORA2A P29274 1/20 0.33
CD44 P16070 1/20 0.33
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PNMT P11086 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL13043129 0.80 TSHR (0.34) ALDH1A1CYP3A4TSHRTP53ADORA2A
SCHEMBL9420713 0.77 LMNA (0.33) CYP3A4
SCHEMBL27051392 0.77 CYP3A4 (0.40) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL3873608 0.77 MET (0.34) ALDH1A1CYP3A4TSHRTP53ADORA2A
SCHEMBL18885910 0.76 LMNA (0.36) CYP3A4TSHRTP53CA1CA2
SCHEMBL10073311 0.75 CYP3A4 (0.33) ALDH1A1CYP3A4TSHRTP53CA12
SCHEMBL23841476 0.74 LMNA (0.39) ALDH1A1CYP3A4TSHRMAPK1CA1
SCHEMBL14647720 0.74 MET (0.35) TSHRKDM4ESMN1; SMN2
SCHEMBL6410832 0.74 CYP3A4 (0.37) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL669696 0.74 CYP3A4 (0.40) ALDH1A1CYP3A4TSHRCD44MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
CN-1491216-A Novel alkylphenylimidazolidine derivatives for the treatment of urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 CN disclosed
EP-1362038-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-19 EP disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
WO-2002064570-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 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 (2 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-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN ALDH1A1 270/4885CYP3A4 2910/4885TSHR 1979/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R ALDH1A1 651/4885CYP3A4 2833/4885TSHR 1522/4885

“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.