SCHEMBL19243283

SCHEMBL19243283

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HSP90AA1 P07900 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
PARP10 Q53GL7 1/20 0.51
SRD5A2 P31213 5/20 0.50
PGR P06401 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
TGM2 P21980 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL4605769 0.85 MAOB (0.56) SMN1; SMN2HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL977997 0.84 HSP90AA1 (0.63) SMN1; SMN2HSP90AA1ALDH1A1NPC1POLB
SCHEMBL19033787 0.84 HSP90AA1 (0.63) SMN1; SMN2HSP90AA1ALDH1A1NPC1POLB
SCHEMBL20677772 0.82 HSP90AA1 (0.58) HSP90AA1ALDH1A1NPC1RAB9ASRD5A2
SCHEMBL16126217 0.81 HSP90AA1 (0.46) HSP90AA1
SCHEMBL18127061 0.81 HSP90AA1 (0.46) HSP90AA1NPC1RAB9APARP10
SCHEMBL20677796 0.81 HSP90AA1 (0.56) SMN1; SMN2HSP90AA1ALDH1A1NPC1POLB
SCHEMBL3923560 0.79 HSP90AA1 (0.54) HSP90AA1ALDH1A1NPC1POLBRAB9A
SCHEMBL9539946 0.79 HSP90AA1 (0.54) SMN1; SMN2HSP90AA1ALDH1A1POLBSRD5A2
SCHEMBL3694184 0.79 HSP90AA1 (0.54) SMN1; SMN2HSP90AA1ALDH1A1NPC1POLB

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 SMN1; SMN2 4672/4885HSP90AA1 3424/4885ALDH1A1 946/4885

“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.