SCHEMBL5800735

SCHEMBL5800735

O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCN2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
ROCK2 O75116 1/20 0.48
MAPK1 P28482 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CCR3 P51677 1/20 0.48
HDAC1 Q13547 1/20 0.46
KCNJ6 P48051 1/20 0.46

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
SCHEMBL27370339 0.87 NPC1 (0.64) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL30718462 0.87 NPC1 (0.64) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL6981447 0.80 NPC1 (0.68) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL7903033 0.79 RAB9A (0.57) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL5798864 0.76 ALDH1A1 (0.45) GAAALDH1A1MEN1KMT2ANMT2
SCHEMBL13748708 0.75 MCHR1 (0.53)
SCHEMBL5803358 0.75 HPGD (0.49) GAAHPGDMEN1NPC1RAB9A
SCHEMBL880654 0.74 NPC1 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1NPC1
SCHEMBL29642942 0.74 PLAU (0.52) ALDH1A1KDM4ENPC1CA12CA1
SCHEMBL31488089 0.74 NPC1 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1NPC1

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 4 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
CN-1777582-A Substituted indoline and indole derivatives LUNDBECK & CO AS H (DK) 2006-05-24 CN 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 GAA 2838/4885SMN1; SMN2 3318/4885ALDH1A1 344/4885

“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.