SCHEMBL17487355

SCHEMBL17487355

Nc1ccc2nc(NCCO)n(Cc3ccc(Oc4ccc(Cl)cc4)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX3 P56373 6/20 0.43
SOS1 Q07889 2/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NOD1 Q9Y239 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
NOD2 Q9HC29 2/20 0.39
PCSK9 Q8NBP7 1/20 0.39
IL6 P05231 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
SCHEMBL17487446 0.90 CYP3A4 (0.47) P2RX3SOS1CYP3A4IL6TLR7
SCHEMBL17487459 0.87 SOS1 (0.41) SMN1; SMN2LMNAHTTP2RX3SOS1
SCHEMBL17488303 0.87 SOS1 (0.43) SMN1; SMN2LMNAHTTP2RX3SOS1
SCHEMBL17487341 0.86 DRD2 (0.46) SMN1; SMN2LMNAHTTP2RX3DRD2
SCHEMBL17487667 0.86 DRD2 (0.43) SMN1; SMN2LMNAHTTP2RX3SOS1
SCHEMBL17488099 0.86 P2RX3 (0.46) SMN1; SMN2LMNAHTTP2RX3DRD2
SCHEMBL17487335 0.85 KDM4E (0.46) SMN1; SMN2LMNAHTTP2RX3SOS1
SCHEMBL17488001 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTP2RX3DRD2
SCHEMBL18960412 0.82 P2RX3 (0.49) SMN1; SMN2LMNAHTTP2RX3DRD2
SCHEMBL17487315 0.81 SOS1 (0.59) SMN1; SMN2HTTSOS1ALDH1A1NOD1

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 SMN1; SMN2 3381/4885LMNA 1905/4885HTT 2423/4885

“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.