SCHEMBL20495604

SCHEMBL20495604

CN1c2ccccc2C=CC1P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RX4 Q99571 10/20 0.39
P2RX1 P51575 4/20 0.39
P2RX3 P56373 4/20 0.39
P2RX7 Q99572 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
SCN4A P35499 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL29657186 0.81 P2RX4 (0.38) MEN1KMT2AP2RX4P2RX1P2RX3
SCHEMBL23356595 0.80 SMN1; SMN2 (0.41) MEN1KMT2AP2RX4P2RX1P2RX3
SCHEMBL20495311 0.76
SCHEMBL23356564 0.76
SCHEMBL23356600 0.74 P2RX4 (0.38) MEN1KMT2AP2RX4LMNASMN1; SMN2
SCHEMBL23356603 0.73 SRC (0.34) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL3253414 0.73 MEN1 (0.42) MEN1KMT2AP2RX4P2RX1P2RX3
SCHEMBL28254814 0.72 SMN1; SMN2 (0.42) MEN1KMT2AP2RX4P2RX1P2RX3
SCHEMBL4276864 0.71 MEN1 (0.49) MEN1KMT2AP2RX4P2RX1P2RX3
SCHEMBL20502845 0.71 TDP1 (0.36) MEN1KMT2ALMNASMN1; SMN2TSHR

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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US claimed
WO-2018163217-A2 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-09-13 WO claimed
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT MEN1 892/4885KMT2A 2513/4885P2RX4 4241/4885

“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.