SCHEMBL6195822

SCHEMBL6195822

Cc1ccc2c(c1)C=CC(C#N)N2C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ NPSR1 Q6W5P4 5/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PDE5A O76074 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GRIN2B Q13224 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
SCHEMBL4422567 0.88 LMNA (0.79) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8345917 0.88 LMNA (0.78) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9369302 0.86 LMNA (0.78) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7340898 0.85 LMNA (0.76) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8342494 0.84 LMNA (0.75) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4429170 0.80 LMNA (0.67) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4429146 0.79 LMNA (0.65) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8342323 0.75 LMNA (0.72) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29624123 0.75 KMT2A (0.72) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9365729 0.75 LMNA (0.72) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 — — US disclosed
US-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 — — 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 (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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E LMNA 2397/4885SMN1; SMN2 199/4885MEN1 1822/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C LMNA 921/4885SMN1; SMN2 120/4885MEN1 2190/4885

“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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