SCHEMBL17696409

SCHEMBL17696409

CCOc1cc(C)cnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.39
ENPP1 P22413 1/20 0.39
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
AOC3 Q16853 2/20 0.37
RORC P51449 1/20 0.36
THRB P10828 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL14474332 0.83 SMN1; SMN2 (0.42) MAPTRAB9AATML3MBTL1ALDH1A1
SCHEMBL13928210 0.79 CHRNB2 (0.43) MAPTRAB9AL3MBTL1ALDH1A1POLB
SCHEMBL20606819 0.78 KDM4E (0.44) MAPTRAB9AL3MBTL1ALDH1A1POLB
SCHEMBL189068 0.78 GRM5 (0.44) GRM5MAPTRAB9AATML3MBTL1
SCHEMBL17460034 0.78 GAA (0.42) MAPTALDH1A1POLBKDM4EHPGD
SCHEMBL15033986 0.78 GRM5 (0.45) GRM5MAPTRAB9AATML3MBTL1
SCHEMBL18072070 0.76 NOS3 (0.52) GRM5MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL22978573 0.76 ALDH1A1 (0.37) RAB9AALDH1A1POLBENPP1KDM4E
SCHEMBL17693906 0.76 ALDH1A1 (0.40) ALDH1A1POLBENPP1CYP1A2AOC3
SCHEMBL22332620 0.75 GCK (0.51) MAPTRAB9AL3MBTL1MAPK1SMN1; SMN2

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
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 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-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 GRM5 3040/4885MAPT 3804/4885RAB9A 1461/4885

“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.