SCHEMBL3592527

SCHEMBL3592527

O=C(O)N1CCN(C(=O)[C@@H]2CCCN(C3CC3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3592530 1.00 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2ACACBACACA
SCHEMBL5175887 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3598740 0.81 KDM4E (0.45) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3598735 0.81 KDM4E (0.45) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3828585 0.79 ALDH1A1 (0.78) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL15322429 0.78 HPGD (0.63) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL13609481 0.77 CHRNB2 (0.49) ALDH1A1TSHRSMN1; SMN2ACACBACACA
SCHEMBL4668338 0.77 HRH3 (0.48) ALDH1A1TSHRSMN1; SMN2HPGDMEN1
SCHEMBL5195299 0.76 HRH3 (0.51) ALDH1A1TSHRHPGDLMNAHRH3
SCHEMBL2677613 0.76 ALDH1A1 (0.72) ALDH1A1TSHRSMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 — — US claimed
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 — — CN claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 — — US claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 — — US disclosed
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 — — CN disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 — — 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 (1 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 ALDH1A1 838/4885TSHR 852/4885SMN1; SMN2 1699/4885

“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.

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