SCHEMBL3038006

SCHEMBL3038006

Fc1cccc(C(F)(F)CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.44
KIF11 P52732 1/20 0.41
PTPN1 P18031 1/20 0.38
ACHE P22303 1/20 0.37
CYP19A1 P11511 2/20 0.37
NFE2L2 Q16236 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
MGLL Q99685 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CHRM3 P20309 1/20 0.34
CETP P11597 1/20 0.33
MTOR P42345 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL7903555 0.79 KCNN4 (0.44) KCNN4KIF11PTPN1ACHECYP19A1
SCHEMBL3148159 0.79 KIF11 (0.49) KCNN4KIF11PTPN1ACHECYP19A1
SCHEMBL248378 0.78 KCNN4 (0.50) KCNN4KIF11PTPN1ACHECYP19A1
Hydrochloric Acid SCHEMBL223449 0.78 KIF11 (0.47) KCNN4KIF11PTPN1TAAR1IDO1
SCHEMBL29635721 0.75 TSHR (0.56) KCNN4ACHETAAR1IDO1MGLL
SCHEMBL13623770 0.75 KCNN4 (0.52) KCNN4KIF11PTPN1ACHECYP19A1
SCHEMBL2281974 0.75 TSHR (0.50) KCNN4KIF11PTPN1TAAR1CA1
SCHEMBL168760 0.75 TSHR (0.56) KCNN4ACHETAAR1IDO1MGLL
SCHEMBL13272287 0.75 TAAR1 (0.49) KCNN4KIF11PTPN1ACHETAAR1
SCHEMBL30913969 0.75 KIF11 (0.45) KCNN4KIF11NFE2L2TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
WO-2010085749-A2 POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS WITH IMPROVED MEMBRANE PERMEABILITY NORTHWESTERN UNIVERSITY (US) 2010-07-29 WO disclosed
WO-2010085749-A2 POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS WITH IMPROVED MEMBRANE PERMEABILITY NORTHWESTERN UNIVERSITY (US) 2010-07-29 WO 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-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NOS1, NOS2, NOS3 KCNN4 704/4885KIF11 4170/4885PTPN1 4211/4885

“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.