SCHEMBL3913629

SCHEMBL3913629

CC(NCc1ccc(Cl)cc1)c1nnc(C(N)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.40
DPP7 Q9UHL4 4/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 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
Formic Acid SCHEMBL3969807 0.95 CYP2C19 (0.39) CYP2C19CYP2C9TSHRDPP7DPP8
SCHEMBL3913674 0.87 CD38 (0.42)
Hydrochloric Acid SCHEMBL4860146 0.86 CD38 (0.41)
SCHEMBL3904820 0.80 ALDH1A1 (0.48) CYP2C19CYP2C9MEN1KMT2ARAB9A
Formic Acid SCHEMBL3969814 0.79 ALDH1A1 (0.42) CYP2C19CYP2C9TSHRDPP7DPP8
SCHEMBL3969810 0.75 KCNH2 (0.36) CYP2C19TSHRDPP7DPP8MEN1
SCHEMBL3909251 0.73 MAPT (0.31) CYP2C19CYP2C9RAB9ASMN1; SMN2CYP1A2
SCHEMBL3898388 0.71 PSEN1 (0.32)
SCHEMBL8802427 0.70 CYP2C9 (0.56) CYP2C19CYP2C9DPP7MEN1KMT2A
SCHEMBL5999688 0.70 KDM4E (0.56) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-10-09 US disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US 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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 CYP2C19 4470/4885CYP2C9 4639/4885TSHR 1519/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 CYP2C19 4470/4885CYP2C9 4639/4885TSHR 1519/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 CYP2C19 4470/4885CYP2C9 4639/4885TSHR 1519/4885

“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.