SCHEMBL1313889

SCHEMBL1313889

O=Cc1cc(-c2ccccc2Cl)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.52
CYP2C19 P33261 5/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 4/20 0.50
CYP2D6 P10635 3/20 0.50
CYP3A4 P08684 3/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL30436947 0.82 NPC1 (0.50) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL4278985 0.80 TP53 (0.47) NPC1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5925015 0.80 CYP1A2 (0.44) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD
SCHEMBL9213137 0.77 CYP1A2 (0.53) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD
SCHEMBL20507148 0.76 CA12 (0.46) NPC1SMN1; SMN2HPGDHTTRAB9A
SCHEMBL6818269 0.75 CYP1A2 (0.66) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD
SCHEMBL1751462 0.75 CYP1A2 (0.70) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD
SCHEMBL1312698 0.75 RAB9A (0.55) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6818272 0.74 CYP1A2 (0.68) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD
SCHEMBL16915379 0.74 CXCR1 (0.38) CYP1A2CYP2C19NPC1SMN1; SMN2HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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 (3 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 CYP1A2 4772/4885CYP2C19 4793/4885NPC1 1167/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 CYP1A2 4772/4885CYP2C19 4859/4885NPC1 2053/4885
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 CYP1A2 834/4885CYP2C19 1049/4885NPC1 126/4885

“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.