SCHEMBL4985350

SCHEMBL4985350

COCCCOc1ccnc(CSc2nc3cc(OC(F)F)ccc3[nH]2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
WDR5 P61964 2/20 0.58
CYP2C9 P11712 7/20 0.52
CYP3A4 P08684 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2E1 P05181 3/20 0.46
CYP2C8 P10632 3/20 0.46
CYP2B6 P20813 3/20 0.46
ATP4A P20648 5/20 0.45
ATP4B P51164 5/20 0.45
ATP1A1 P05023 4/20 0.45
ATP1B1 P05026 4/20 0.45
ATP1A3 P13637 4/20 0.45
ATP1B2 P14415 4/20 0.45
ATP1A2 P50993 4/20 0.45
ATP1B3 P54709 4/20 0.45

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
SCHEMBL8503057 0.90 CYP2C9 (0.53) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL9527620 0.90 ATP4A (0.55) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL8119760 0.90 CYP3A4 (0.55) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL9561274 0.86 CYP3A4 (0.70) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL8501299 0.86 CYP2C9 (0.55) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL9688514 0.86 CYP3A4 (0.52) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL8552373 0.85 CYP2D6 (0.54) KMT2ACYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL8504230 0.84 CYP2C9 (0.53) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL8503506 0.84 CYP2C9 (0.60) KMT2AWDR5CYP2C9CYP3A4CYP1A2
SCHEMBL8501930 0.83 CYP2C9 (0.53) KMT2AWDR5CYP2C9CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070942-A1 PRAZOLE DERIVATIVES AND SALTS THEREOF AND USE OF SAME JIANGSU HANSEN PHARMACEUTICAL CO., LTD. (CN) 2008-03-20 US disclosed
CN-100364989-C Prazole derivative and its salt and use JIANGSU HAOSEN PHARMACEUTICAL (CN) 2008-01-30 CN disclosed
EP-1795195-A1 NEW PRAZOLE COMPOUND AND THE USE THEREOF Jiangsu Hansen Pharmaceutical Co., Ltd. (CN) 2007-06-13 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-20080070942-A1 PRAZOLE DERIVATIVES AND SALTS THEREOF AND USE OF SAME SLC10A2, GIPR, CACNA1E KMT2A 2743/4885WDR5 2930/4885CYP2C9 96/4885

“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.