SCHEMBL22071532

SCHEMBL22071532

Cc1ccc(C)c(C(=N)C(=O)NCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL25044550 0.82 SMN1; SMN2 (0.74) SMN1; SMN2CYP3A4CYP2C19LMNAPOLB
SCHEMBL19465495 0.80 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL19853442 0.74 TP53 (0.54) SMN1; SMN2CYP2D6TSHRCYP2C19MEN1
SCHEMBL17666331 0.74 SMN1; SMN2 (0.70) SMN1; SMN2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12121064 0.71 HTT (0.63) SMN1; SMN2CYP3A4TSHRCYP2C19MEN1
SCHEMBL3056874 0.71 KMT2A (0.71) SMN1; SMN2CYP2D6TSHRCYP2C19LMNA
SCHEMBL20684992 0.70 MEN1 (0.49) SMN1; SMN2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18415438 0.70 LCK (0.57) SMN1; SMN2CYP3A4LMNAMEN1KMT2A
SCHEMBL1032002 0.69 MAPK1 (0.77) SMN1; SMN2CYP3A4CYP2C19LMNAMEN1
SCHEMBL13049648 0.69 SMN1; SMN2 (1.00) SMN1; SMN2POLBMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230535-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-25 — — US disclosed
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-06-11 — — 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-11230535-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 SMN1; SMN2 4229/4885CYP3A4 1660/4885CYP2D6 2311/4885
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 SMN1; SMN2 4229/4885CYP3A4 1660/4885CYP2D6 2311/4885

“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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