SCHEMBL9935290

SCHEMBL9935290

COc1ccccc1CNC(=O)[C@@H]1CCCNC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.75
ALDH1A1 P00352 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.57
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 1/20 0.56
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL2448742 1.00 HPGD (0.75) HPGDALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL17048481 0.93 HPGD (0.70) HPGDALDH1A1CYP2C19CYP1A2TSHR
Hydrochloric Acid SCHEMBL695273 0.89 HPGD (0.59) HPGDALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL11403472 0.85 HPGD (0.78) HPGDALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL13746003 0.83 PKM (0.56) HPGDALDH1A1LMNA
SCHEMBL30946666 0.81 P2RX7 (0.52) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL3416580 0.79 SMN1; SMN2 (0.71) HPGDALDH1A1TSHRMAPTKMT2A
Hydrochloric Acid SCHEMBL695515 0.79 P2RX7 (0.49) HPGDALDH1A1KMT2A
SCHEMBL4434645 0.78 ALDH1A1 (0.70) HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL2444405 0.78 ALDH1A1 (0.70) HPGDALDH1A1LMNASMN1; SMN2

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-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US disclosed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 US disclosed
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 HPGD 559/4885ALDH1A1 820/4885CYP2C19 295/4885

“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.