SCHEMBL19243169

SCHEMBL19243169

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
EGFR P00533 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
JAK1 P23458 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1B1 Q16678 2/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52

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
SCHEMBL19033787 0.80 HSP90AA1 (0.63) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL977997 0.80 HSP90AA1 (0.63) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL20677772 0.79 HSP90AA1 (0.58) ALDH1A1TP53MAPK1TDP1CES2
SCHEMBL20677796 0.77 HSP90AA1 (0.56) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19243283 0.77 SMN1; SMN2 (0.53) ALDH1A1HPGDSMN1; SMN2HSP90AA1NPC1
SCHEMBL9539946 0.76 HSP90AA1 (0.54) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3923560 0.76 HSP90AA1 (0.54) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL3694184 0.76 HSP90AA1 (0.54) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL11397350 0.76 HSP90AA1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL19209070 0.75 HSP90AA1 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT

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-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2019-01-31 US disclosed
US-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2019-01-31 US disclosed
WO-2017134555-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2017-08-10 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-20190031665-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER IDO1, IDO2, TDO2 MEN1 4094/4885KMT2A 639/4885KDM4E 427/4885

“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.