SCHEMBL17488205

SCHEMBL17488205

FC(F)(F)Oc1ccc(OCCn2c(I)nc3cc(Br)cnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.44
KMT2A Q03164 1/20 0.37
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35
RUNX1 Q01196 2/20 0.34
CHRM5 P08912 4/20 0.34
NR1I2 O75469 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRM2 Q14416 1/20 0.34
DRD3 P35462 1/20 0.33
AKT1 P31749 1/20 0.33
KCNA5 P22460 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL17488235 0.82 NTRK1 (0.41) NTRK1KMT2ACSF1RNTRK2RUNX1
SCHEMBL18960374 0.81 LTA4H (0.43) NTRK1CSF1RLMNA
SCHEMBL17488190 0.70 NTRK1 (0.41) NTRK1CSF1RNTRK2RUNX1NR1I2
SCHEMBL4002655 0.66 CNR2 (0.46) KMT2AAKT1HSD17B10
SCHEMBL17488070 0.64 NOD1 (0.52) NTRK1KMT2ARUNX1NR1I2CYP1A2
SCHEMBL17488075 0.64 KMT2A (0.52) NTRK1KMT2ANR1I2CYP1A2CYP2D6
SCHEMBL23247848 0.64 NPC1 (0.44) RUNX1CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL13607797 0.63 MPO (0.39)
SCHEMBL13607765 0.62 TRPV1 (0.49) RUNX1
SCHEMBL5247851 0.61 MAOB (0.45) CYP2C9KCNA5

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 NTRK1 1236/4885KMT2A 4213/4885CSF1R 1559/4885

“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.