SCHEMBL19243255

SCHEMBL19243255

C/C(Br)=C(\C=O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
PARP1 P09874 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL20677705 1.00 POLB (0.51) POLBPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL20677704 1.00 POLB (0.51) POLBPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL28278604 0.79 POLB (0.51) POLBPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL19209090 0.77 ALDH1A1 (0.46) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL19243244 0.77 ALDH1A1 (0.46) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL19209092 0.77 ALDH1A1 (0.46) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL19209370 0.75 ALDH1A1 (0.55) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19209371 0.75 ALDH1A1 (0.55) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19243110 0.75 ALDH1A1 (0.55) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20677718 0.72 KDM2B (0.46) ALDH1A1MAPTHTTHPGDGAA

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
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 POLB 2730/4885PARP1 1505/4885SMN1; SMN2 4672/4885

“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.