SCHEMBL18219786

SCHEMBL18219786

CNCC(=O)c1c[n+]([O-])ccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2C8 P10632 1/20 0.46
ACVR1B P36896 9/20 0.44
ACVRL1 P37023 8/20 0.44
ACVR1 Q04771 2/20 0.44
BMPR1A P36894 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
SCHEMBL16888489 0.87 TGFBR1 (0.55) TGFBR1CYP3A4CYP2C8ACVR1BACVRL1
SCHEMBL18221548 0.86 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8ACVR1BACVRL1
SCHEMBL18219788 0.76 MAPK14 (0.35) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL18219787 0.74 NUDT1 (0.47) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL22270337 0.72 TGFBR1 (0.79) TGFBR1CYP3A4CYP2C8ACVR1BACVRL1
SCHEMBL22270338 0.71 TGFBR1 (0.79) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16888490 0.70 TGFBR1 (0.40) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL16879386 0.69 TGFBR1 (0.82) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879337 0.69 TGFBR1 (0.66) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL18219797 0.68 TGFBR1 (0.84) TGFBR1ACVR1BACVRL1ACVR1BMPR1A

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
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20180208577-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-07-26 US disclosed
US-10030004-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2018-07-24 US disclosed
US-20160326137-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2016-11-10 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 (4 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-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF TGFBR1 13/4885CYP3A4 4780/4885CYP2C8 4349/4885
US-10030004-B2 Compounds and methods of use TGFB2, TGFB1, HDGF TGFBR1 13/4885CYP3A4 4780/4885CYP2C8 4349/4885
US-20160326137-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF TGFBR1 13/4885CYP3A4 4780/4885CYP2C8 4349/4885
US-20180208577-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF TGFBR1 13/4885CYP3A4 4780/4885CYP2C8 4349/4885

“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.