SCHEMBL17487341

SCHEMBL17487341

Nc1ccc2nc(NCC(=O)O)n(Cc3ccc(Oc4ccc(Cl)cc4)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
TBXA2R P21731 2/20 0.46
P2RX3 P56373 11/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NOD1 Q9Y239 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOD2 Q9HC29 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17488099 0.92 P2RX3 (0.46) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL18960412 0.88 P2RX3 (0.49) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17487355 0.86 SMN1; SMN2 (0.44) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17487667 0.84 DRD2 (0.43) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17487335 0.83 KDM4E (0.46) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17488303 0.81 SOS1 (0.43) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17487459 0.81 SOS1 (0.41) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17487315 0.79 SOS1 (0.59) KDM4EALDH1A1NOD1SMN1; SMN2HPGD
SCHEMBL17488001 0.79 SMN1; SMN2 (0.41) DRD2TBXA2RP2RX3KDM4EALDH1A1
SCHEMBL17487671 0.78 SSTR5 (0.46) DRD2TBXA2RKDM4EALDH1A1SMN1; SMN2

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 DRD2 2624/4885TBXA2R 18/4885P2RX3 750/4885

“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.