SCHEMBL13055887

SCHEMBL13055887

Cn1cc(C(F)F)nc1NC(=O)c1cc(O)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ TSHR P16473 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NQO2 P16083 1/20 0.32

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
SCHEMBL13056184 0.79 MEN1 (0.35) KDRKDM4ENPSR1USP2ALDH1A1
SCHEMBL13055747 0.73 NPC1 (0.45) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL13055820 0.73 HDAC1 (0.36) KDRKDM4EALDH1A1LMNATDP1
SCHEMBL13055878 0.71 TMPRSS4 (0.49) KDRMEN1KMT2A
SCHEMBL13056131 0.68 NQO2 (0.33) KDRKDM4EALDH1A1HPGDLMNA
SCHEMBL13056079 0.68 LMNA (0.42) KDM4ELMNATP53NPC1RAB9A
SCHEMBL12579391 0.66 NPC1 (0.58) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL15649255 0.62 KDM4E (0.55) KDM4EALDH1A1NCOA1NCOA3LMNA
SCHEMBL1919666 0.61 HSD17B10 (0.54) KDM4ENPSR1ALDH1A1HPGDLMNA
SCHEMBL17295638 0.60 NQO2 (0.60) KDM4ENPSR1ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47786-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES L.C. (US) 2019-12-31 — — US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 — — US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 — — US disclosed
US-9126992-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2015-09-08 — — US disclosed
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES, L.C. (US) 2014-11-20 — — US disclosed
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES, L.C. (US) 2014-11-20 — — US disclosed
US-8846727-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2014-09-30 — — US disclosed
US-8846727-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2014-09-30 — — US disclosed
US-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. 2010-11-18 — — US disclosed
US-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. 2010-11-18 — — 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 (2 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-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC KDR 2958/4885KDM4E 3253/4885NPSR1 4148/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC KDR 2958/4885KDM4E 3253/4885NPSR1 4148/4885

“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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