SCHEMBL6645974

SCHEMBL6645974

CCCCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 1/20 0.54
TACR1 P25103 2/20 0.53
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
EPHX2 P34913 2/20 0.50
MTOR P42345 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
MLYCD O95822 1/20 0.49
CCR2 P41597 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL27536353 0.95 EPHX2 (0.56) HPGDTACR1HDAC3HDAC1HDAC2
SCHEMBL17342648 0.91 TACR1 (0.56) HPGDALDH1A1TACR1HDAC3HDAC1
SCHEMBL934422 0.85 HPGD (0.70) HPGDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL11306116 0.82 TACR1 (0.63) TACR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL15844339 0.82 TACR1 (0.53) TACR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL15844152 0.81 TACR1 (0.59) TACR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL14445170 0.78 TACR1 (0.52) TACR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL15844016 0.78 TACR1 (0.58) ALDH1A1TACR1MTORMLYCD
SCHEMBL6301053 0.77 MTOR (0.58) ALDH1A1TACR1MTORMLYCDCCR2
SCHEMBL249436 0.77 L3MBTL1 (0.61) HPGDALDH1A1MLYCDMEN1KMT2A

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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 US disclosed
EP-1389460-A1 CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND Kureha Chemical Industry Co., Ltd. (JP) 2004-02-18 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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 HPGD 995/4885ALDH1A1 584/4885TACR1 1486/4885

“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.