SCHEMBL2608960

SCHEMBL2608960

CC(C)Cn1cnc(C(F)(F)F)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TLR7 Q9NYK1 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXRA P19793 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL11783018 0.88 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2TLR7ALDH1A1
SCHEMBL25153650 0.83 ALDH1A1 (0.40) ALDH1A1KDM5BPKM
SCHEMBL11781418 0.81 P2RX3 (0.36) MEN1KMT2A
SCHEMBL11783947 0.80 ALDH1A1 (0.33) ALDH1A1KDM5B
SCHEMBL11784400 0.79 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM5B
SCHEMBL11780243 0.79 KDM5B (0.31) ALDH1A1KDM5B
SCHEMBL11785302 0.75 ALDH1A1 (0.34) ALDH1A1KDM5BPKM
SCHEMBL11785306 0.75 ALDH1A1 (0.34) ALDH1A1KDM5BPKM
SCHEMBL11783513 0.75 PTGS2 (0.40) ALDH1A1KDM5BMEN1KMT2AGRIA1
SCHEMBL11780619 0.74 LMNA (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM5B

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-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — US disclosed
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 — — 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E POLB 10/4885NPC1 545/4885RAB9A 1672/4885

“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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