Sugi Predict

Sugi Predict / Compounds / SCHEMBL3107164

SCHEMBL3107164

SCHEMBL3107164

NC(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MLYCD O95822 2/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL3110408 0.90 MLYCD (0.37) MEN1KMT2AALDH1A1SMN1; SMN2SPHK2
SCHEMBL5250048 0.90 EPHX2 (0.46) MEN1KMT2ASMN1; SMN2RAB9ACCR1
SCHEMBL3111992 0.88 SPHK2 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2SPHK2
SCHEMBL5245700 0.87 HDAC4 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2SPHK2
SCHEMBL3113582 0.87 HPGD (0.42) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL3113152 0.87 SLC6A5 (0.42) MEN1KMT2AMAPK14
SCHEMBL5246355 0.86 NPC1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2SPHK2
SCHEMBL5244893 0.86 MAPK14 (0.48) CCR1EPHX2MAPK14
SCHEMBL5244539 0.86 SMO (0.44) MEN1KMT2ASMN1; SMN2MAPTCCR1
SCHEMBL5249136 0.85 CACNA1G (0.40) MEN1KMT2AGAAMAPTCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MEN1 1111/4885KMT2A 2286/4885ALDH1A1 3580/4885

“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.