SCHEMBL3107690

SCHEMBL3107690

O=C(NCCCl)NCCNC(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1CCCCCF

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.33
MLYCD O95822 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CCR1 P32246 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DGAT1 O75907 2/20 0.31
OPRD1 P41143 1/20 0.31
P2RY14 Q15391 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3104271 0.91 CYP1A2 (0.38) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL3112810 0.90 MLYCD (0.36) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL5246279 0.89 RAB9A (0.40) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL3112218 0.89 RAB9A (0.36) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL3106801 0.89 HDAC4 (0.35) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL5245108 0.89 NPC1 (0.37) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL5249369 0.88 MLYCD (0.36) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3117680 0.88 MEN1 (0.37) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL5244282 0.88 MLYCD (0.38) FOLH1MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL3113751 0.87 HPGD (0.41) MLYCDNPC1RAB9ASMN1; SMN2ALDH1A1

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 3 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-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

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 FOLH1 2581/4885MLYCD 4763/4885NPC1 2145/4885

“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.