SCHEMBL15907989

SCHEMBL15907989

O=C(I)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
NAMPT P43490 1/20 0.37
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3686150 0.85 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL109045 0.84 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL300884 0.83 CA12 (0.42) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7327634 0.82 HPGD (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL10168511 0.81 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL20133945 0.81 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7769437 0.81 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8828394 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL14369503 0.81 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9715221 0.81 HPGD (0.45) ALDH1A1HPGDMEN1KMT2AMAPT

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-9394354-B2 Haptens of paliperidone JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394354-B2 Haptens of paliperidone JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-20140213767-A1 HAPTENS OF PALIPERIDONE ORTHO-CLINICAL DIAGNOSTICS, INC. (US) 2014-07-31 US disclosed
US-20140213767-A1 HAPTENS OF PALIPERIDONE ORTHO-CLINICAL DIAGNOSTICS, INC. (US) 2014-07-31 US 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-20140213767-A1 HAPTENS OF PALIPERIDONE CD274, PIN1, LY96 ALDH1A1 327/4885HPGD 1103/4885MEN1 3657/4885

“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.