SCHEMBL7535658

SCHEMBL7535658

CON=C(c1cc(C)no1)c1ccccc1COc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.43
▸ SCN9A Q15858 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PPARG P37231 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8370605 0.76 HIF1A (0.50) MRGPRX4SCN9ACYP1A2CYP3A4CYP2C19
SCHEMBL8370602 0.76 HIF1A (0.50) MRGPRX4SCN9ACYP1A2CYP3A4CYP2C19
SCHEMBL7537180 0.75 KMT2A (0.41) RAB9ASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL6961936 0.75 CYP1A2 (0.41) MRGPRX4SCN9ACYP1A2CYP3A4CYP2C19
SCHEMBL7542538 0.74 KMT2A (0.41) HIF1ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7535896 0.74 MAPT (0.40) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL31568518 0.74 MRGPRX4 (0.67) MRGPRX4CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL7536125 0.73 HTT (0.39) MRGPRX4HIF1ALMNARAB9AALDH1A1
SCHEMBL7537476 0.72 PPARG (0.36) HIF1ALMNARAB9ASMN1; SMN2PPARG
SCHEMBL6743790 0.68 MRGPRX4 (0.71) MRGPRX4CYP1A2CYP3A4CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362212-B1 POTENT FUNGICIDAL ACTIVITY SHIONOGI & COMPANY, LTD. (JP) 2002-03-26 — — US disclosed
US-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient TAKASE AKIRA (JP) 2002-03-14 — — US disclosed
US-6268312-B1 FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-07-31 — — US disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 — — US disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 — — 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-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient MSMO1, O60361, CBR1 MRGPRX4 3876/4885SCN9A 203/4885CYP1A2 584/4885

“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.

Send feedback