SCHEMBL14762169

SCHEMBL14762169

CC(=O)c1cc(C(O)C(F)(F)F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP11B2 P19099 2/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KDM5B Q9UGL1 2/20 0.33
OGA O60502 2/20 0.33
KDM4E B2RXH2 3/20 0.33
KDM6B O15054 1/20 0.33
TET3 O43151 1/20 0.33
KDM4A O75164 1/20 0.33
BBOX1 O75936 1/20 0.33
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5C P41229 1/20 0.33

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
SCHEMBL30517286 1.00 ALDH1A1 (0.41) ALDH1A1CYP11B2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL19615613 0.98 ALDH1A1 (0.40) ALDH1A1CYP11B2PSEN1PSEN2APH1B
SCHEMBL29272351 0.85 KDM4E (0.49) ALDH1A1KDM5BKDM4EKDM6BTET3
SCHEMBL19632039 0.84 OGA (0.33) CYP11B2KDM5BOGAACSS2
SCHEMBL29878775 0.83 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL19632007 0.81 KDM4E (0.44) CYP11B2OGAKDM4EACSS2
Hydrochloric Acid SCHEMBL19615731 0.80 KDM4E (0.42) CYP11B2OGAKDM4E
Hydrochloric Acid SCHEMBL19615729 0.80 KDM4E (0.42) CYP11B2OGAKDM4E
SCHEMBL12181370 0.80 ALDH1A1 (0.38) ALDH1A1AKR1C3AKR1C2KDM5BKDM4E
SCHEMBL6169475 0.78 ALDH1A1 (0.47) ALDH1A1KDM5BKDM4EKDM6BTET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2020-02-04 US disclosed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed
EP-2570411-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO LTD (JP) 2016-07-06 EP disclosed
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2015-12-10 US disclosed
US-9150569-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-06 US disclosed
EP-2570411-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY Kyowa Hakko Kirin Co., Ltd. (JP) 2013-03-20 EP disclosed
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-03-14 US disclosed
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-03-14 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 (4 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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 ALDH1A1 2390/4885CYP11B2 234/4885PSEN1 4186/4885
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 ALDH1A1 2390/4885CYP11B2 234/4885PSEN1 4186/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 ALDH1A1 2390/4885CYP11B2 234/4885PSEN1 4186/4885
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 ALDH1A1 2415/4885CYP11B2 219/4885PSEN1 4150/4885

“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.