SCHEMBL5458675

SCHEMBL5458675

O=CNN1CNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.40
HSD17B3 P37058 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30

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
SCHEMBL28297314 0.84 AVPR1A (0.38) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL11844055 0.74 TGM2 (0.38) BRPF1HSD17B3GAASMN1; SMN2
SCHEMBL4076384 0.73 BRPF1 (0.42) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL8039565 0.69 BRPF1 (0.39) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL2690960 0.67 BRPF1 (0.40) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL1383225 0.67 ALDH1A1 (0.44) GAAMEN1KMT2ASMN1; SMN2
SCHEMBL9521938 0.66 BRPF1 (0.41) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL17114712 0.66 BRPF1 (0.41) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL21400260 0.66 BRPF1 (0.41) BRPF1HSD17B3GAAMEN1KMT2A
SCHEMBL4265285 0.66 BRPF1 (0.41) BRPF1HSD17B3GAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200237754-A1 TUBULIN BINDING COMPOUNDS AND THERAPEUTIC USE THEREOF BEYONDSPRING PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants CEDARS-SINAI MEDICAL CENTER (US) 2007-03-29 US disclosed
EP-1622893-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS Hideg, Kalman (HU) 2006-02-08 EP disclosed
WO-2004096793-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS HIDEG KALMAN (HU) 2004-11-11 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 (2 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-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants PARP1, PARP2, PARP11 BRPF1 2806/4885HSD17B3 2876/4885GAA 2359/4885
US-20200237754-A1 TUBULIN BINDING COMPOUNDS AND THERAPEUTIC USE THEREOF TUBB6, TUBB1, TUBB BRPF1 940/4885HSD17B3 4206/4885GAA 496/4885

“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.