SCHEMBL30032014

SCHEMBL30032014

O=C(c1ccc(Br)cc1Cl)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.58
HSP90AA1 P07900 2/20 0.54
USP2 O75604 1/20 0.54
CCKBR P32239 3/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL30033208 0.98 HPGD (0.55) HPGDHSP90AA1USP2CCKBRPOLB
SCHEMBL2106649 0.98 HPGD (0.55) HPGDHSP90AA1USP2CCKBRPOLB
SCHEMBL3342742 0.95 HPGD (0.51) HPGDHSP90AA1USP2CCKBRPOLB
SCHEMBL1447765 0.86 MAPT (0.56) HPGDHSP90AA1TSHRSMN1; SMN2LMNA
SCHEMBL1447592 0.86 KMT2A (0.67) HSP90AA1POLBTSHRALDH1A1NPC1
SCHEMBL21189588 0.85 SMN1; SMN2 (0.66) HPGDHSP90AA1USP2POLBTSHR
SCHEMBL1085239 0.84 L3MBTL3 (0.67)
SCHEMBL1448439 0.84 LMNA (0.60) HSP90AA1POLBTSHRNPC1SMN1; SMN2
SCHEMBL30033450 0.84 MAPT (0.61) HPGDHSP90AA1TSHRSMN1; SMN2MAPT
SCHEMBL30032172 0.84 HSP90AA1 (0.56) HPGDHSP90AA1TSHRALDH1A1NPC1

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-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 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-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 HPGD 697/4885HSP90AA1 3568/4885USP2 4550/4885

“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.