SCHEMBL20677756

SCHEMBL20677756

C/C(Br)=C(/C=C/C(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TNFRSF1A P19438 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL20677757 1.00 MAPT (0.49) MAPTCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL19243114 1.00 MAPT (0.49) MAPTCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL19243107 0.91 RECQL (0.50) MAPTALDH1A1CYP3A4TNFRSF1AHPGD
SCHEMBL19209338 0.91 RECQL (0.50) MAPTALDH1A1CYP3A4TNFRSF1AHPGD
SCHEMBL19209337 0.91 RECQL (0.50) MAPTALDH1A1CYP3A4TNFRSF1AHPGD
SCHEMBL20677761 0.86 MAPT (0.49) MAPTCYP1A2ALDH1A1TNFRSF1AHPGD
SCHEMBL20684803 0.86 MAPT (0.49) MAPTCYP1A2ALDH1A1TNFRSF1AHPGD
SCHEMBL19243167 0.86 ALDH1A1 (0.59) MAPTALDH1A1CYP3A4HPGDKDM4E
SCHEMBL20677797 0.86 CYP1B1 (0.55) MAPTCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL20677758 0.86 ALDH1A1 (0.59) MAPTALDH1A1CYP3A4HPGDKDM4E

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 1 patent. 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

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 MAPT 3786/4885CYP1A2 144/4885CYP2C19 512/4885

“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.