SCHEMBL4756002

SCHEMBL4756002

O=C(NNc1ncc(C(=O)O)cc1Cl)NC1c2ccccc2CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BDKRB2 P30411 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
HTT P42858 1/20 0.36
P2RX7 Q99572 3/20 0.35
ENPP2 Q13822 1/20 0.35
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TBXA2R P21731 1/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL6391029 0.94 ROCK2 (0.38) ALDH1A1BDKRB2P2RX7
SCHEMBL4704630 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6385637 0.88 NPC1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4700441 0.85 BDKRB2 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6386602 0.85 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6386247 0.85 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2HTTP2RX7
SCHEMBL6385471 0.84 KDM4C (0.36) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6384445 0.83 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6387583 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4698698 0.82 PARP1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2BDKRB2

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
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 ALDH1A1 2117/4885MEN1 2534/4885KMT2A 1888/4885

“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.