SCHEMBL3147287

SCHEMBL3147287

Nc1c(F)cccc1Nc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.44
EGFR P00533 1/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK10 P53779 1/20 0.42
HDAC1 Q13547 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PTK2 Q05397 1/20 0.39
C1R P00736 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4716260 0.83 MAPT (0.55) EGFRRAB9ASMN1; SMN2HDAC1MAPT
SCHEMBL396120 0.83 CXCL8 (0.55) CXCL8RAB9ANPC1SMN1; SMN2MAPK10
SCHEMBL29793294 0.83 CXCL8 (0.55) CXCL8RAB9ANPC1SMN1; SMN2MAPK10
SCHEMBL3613999 0.83 SOS1 (0.44) EGFRRAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL3607119 0.80 MAPT (0.56) CXCL8RAB9ANPC1SMN1; SMN2MAPK10
SCHEMBL29414658 0.80 MAPT (0.56) CXCL8RAB9ANPC1SMN1; SMN2MAPK10
SCHEMBL27788955 0.80 MAP2K1 (0.44)
SCHEMBL28130440 0.77 CXCL8 (0.47) CXCL8EGFRRAB9ANPC1SMN1; SMN2
SCHEMBL1861299 0.76 HDAC1 (0.45) EGFRRAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL4719017 0.75 P2RY4 (0.45) EGFRRAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 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-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A CXCL8 3383/4885EGFR 4527/4885RAB9A 3089/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CXCL8 2658/4885EGFR 2155/4885RAB9A 2572/4885

“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.