SCHEMBL12435674

SCHEMBL12435674

CCCCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP19A1 P11511 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
CYP2A6 P11509 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TRPV1 Q8NER1 3/20 0.52

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
SCHEMBL15060898 0.95 TDP1 (0.67) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13527201 0.93 TDP1 (0.65) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10042896 0.92 CYP3A4 (0.56) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16068455 0.89 CYP2A6 (0.62) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10042908 0.87 CYP19A1 (0.51) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10035345 0.85 HSD11B1 (0.56) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL35988 0.84 CYP2A6 (0.61) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10035337 0.83 HSD11B1 (0.60) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10035324 0.83 HSD11B1 (0.60) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12303912 0.83 FLT3 (0.52) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19

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-20200339620-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-10-29 US disclosed
EP-1802641-B1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES UNIV ILLINOIS (US) 2011-08-10 EP 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-20200339620-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF LNPEP, LCLAT1, NPEPPS CYP3A4 2000/4885CYP2D6 151/4885CYP19A1 3543/4885

“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.