SCHEMBL26700716

SCHEMBL26700716

O=Cc1c[nH]c2cc(-c3ccccc3C(F)(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.49
▸ IMPDH2 P12268 1/20 0.49
▸ PIM1 P11309 2/20 0.48
▸ PIM3 Q86V86 2/20 0.48
▸ TRPA1 O75762 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ AR P10275 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL2560135 0.82 TNKS (0.53) CYP2A6IMPDH2PIM1PIM3TRPA1
SCHEMBL26700816 0.80 TNKS2 (0.53) CYP2A6IMPDH2PIM1PIM3TRPA1
SCHEMBL2535062 0.77 CYP2A6 (0.61) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL28066001 0.77 BACE1 (0.52) TRPA1ALDH1A1TRPM8ARBACE1
SCHEMBL29644219 0.74 CYP2A6 (0.58) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL2533000 0.74 CYP2A6 (0.58) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL7844961 0.73 CYP2A6 (0.57) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15331451 0.72 CYP2A6 (0.53) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15330461 0.71 CYP2A6 (0.53) CYP2A6IMPDH2PIM1PIM3TRPA1
SCHEMBL12907453 0.71 TRPA1 (0.50) PIM1PIM3TRPA1ALDH1A1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — 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 (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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 CYP2A6 1550/4885IMPDH2 4354/4885PIM1 4528/4885

“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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