SCHEMBL16207486

SCHEMBL16207486

Cc1ccc(C(=O)N2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
SIGMAR1 Q99720 1/20 0.49
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KCNH2 Q12809 2/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
PLA2G7 Q13093 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL13122953 0.87 HPGD (0.61) HPGDTSHRALDH1A1TP53PLA2G7
SCHEMBL28071541 0.83 HSD11B1 (0.61) HPGDSIGMAR1PKMKCNH2HSD11B1
SCHEMBL21650832 0.83 KCNH2 (0.50) HPGDSIGMAR1PKMTSHRKCNH2
SCHEMBL12311741 0.82 HPGD (0.65) HPGDSIGMAR1TSHRALDH1A1TP53
SCHEMBL24746207 0.81 KMT2A (0.54) HPGDSIGMAR1TSHRALDH1A1TP53
Methylpiperazine SCHEMBL27655409 0.81 ALKBH5 (0.43)
Hydrochloric Acid SCHEMBL623790 0.80 HPGD (0.55) HPGDSIGMAR1TSHRALDH1A1TP53
SCHEMBL13122951 0.77 PDK2 (0.54) HPGDALDH1A1TP53HSD11B1
SCHEMBL17696169 0.77 ABL1 (0.47) HPGDTSHRALDH1A1
SCHEMBL12218286 0.77 SIGMAR1 (0.54) HPGDSIGMAR1TSHRALDH1A1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 EP disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 US disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 US disclosed
CN-103130723-B Poly (aenosine diphosphate glucose pyrophospheralase (ADP)-ribose) polymerase inhibitor CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2015-01-14 CN disclosed
EP-2799435-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) 2014-11-05 EP disclosed
CN-103130723-A Poly (aenosine diphosphate glucose pyrophospheralase (ADP)-ribose) polymerase inhibitor CHENGDU DIAO PHARMACY GROUP CO LTD 2013-06-05 CN 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-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 HPGD 509/4885SIGMAR1 4739/4885PKM 347/4885

“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.