SCHEMBL9973897

SCHEMBL9973897

O=C(NCc1cccs1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
PKM P14618 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
SCHEMBL9933624 0.86 KMT2A (0.44) TSHRKDM4EALDH1A1KMT2ALMNA
SCHEMBL9934231 0.85 KMT2A (0.55) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL9934707 0.85 UBE2N (0.43) KDM4EALDH1A1KMT2AMEN1
SCHEMBL9933957 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLB
SCHEMBL9935464 0.83 MAPT (0.51) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL9933790 0.83 MAPT (0.51) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL9934138 0.83 LMNA (0.44) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL9934664 0.83 MAPT (0.51) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL9933959 0.83 NOTUM (0.42) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL9934211 0.83 NOTUM (0.42) KDM4EALDH1A1KMT2AMEN1LMNA

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 2 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

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 TSHR 2175/4885KDM4E 4645/4885ALDH1A1 820/4885

“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.