SCHEMBL5780419

SCHEMBL5780419

Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.55
EPHX2 P34913 11/20 0.55
KCNT1 Q5JUK3 1/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.41
KCNH2 Q12809 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
SCHEMBL31577322 1.00 ALOX5 (0.55) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL7476041 0.85 ALOX5 (0.48) ALOX5EPHX2ALDH1A1POLB
SCHEMBL15524906 0.85 KDM4E (0.43) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15524922 0.82 LMNA (0.41) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15525689 0.80 NR1H3 (0.44) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL28254836 0.79 ALOX5 (0.47) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL15524910 0.78 HDAC1 (0.42) ALOX5EPHX2HDAC1HDAC6ALDH1A1
SCHEMBL5782563 0.77 ALOX5 (0.50) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL21237540 0.77 NPC1 (0.50) HDAC1HDAC6RAB9AALDH1A1
SCHEMBL15524900 0.77 HDAC1 (0.52) ALOX5EPHX2KCNT1HDAC1HDAC6

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-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
EP-1631546-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2006-03-08 EP disclosed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060264496-A1 Substituted indoline and indole derivatives IDO1, IDO2, INMT ALOX5 2370/4885EPHX2 4540/4885KCNT1 1572/4885

“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.