SCHEMBL23978722

SCHEMBL23978722

O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc(Br)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.67
POLB P06746 3/20 0.67
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MAPT P10636 5/20 0.64
GAA P10253 4/20 0.64
OPRK1 P41145 1/20 0.62
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 2/20 0.59
NTRK1 P04629 1/20 0.58
ECE2 P0DPD6 1/20 0.54
ECE1 P42892 1/20 0.54
DNM1 Q05193 1/20 0.54
MUS81 Q96NY9 1/20 0.54
PGR P06401 1/20 0.54
AR P10275 1/20 0.54
PLEC Q15149 1/20 0.51

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
SCHEMBL8298509 0.82 KMT2A (0.66) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL26974362 0.82 PGR (0.76) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL17832065 0.82 TDP1 (0.62) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL17825550 0.82 TDP1 (0.62) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL29712299 0.81 MEN1 (0.78) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL17825554 0.81 MEN1 (0.78) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL17825556 0.81 MEN1 (0.78) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL17832067 0.81 MEN1 (0.78) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL22179536 0.79 PIK3CG (0.69) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL22179538 0.77 KDM4E (0.69) KMT2AMEN1POLBNPC1RAB9A

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
WO-2021225982-A1 SOS1 ALLOSTERIC SITE TARGETING CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-11-11 WO disclosed
US-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING UNIVERSITY OF CINCINNATI 2021-11-04 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-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING SOS1, SOS2, SOST KMT2A 3592/4885MEN1 554/4885POLB 4487/4885

“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.