SCHEMBL31009581

SCHEMBL31009581

CC[C@H](c1cnn(C(F)(F)F)c1)c1ccccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CFTR P13569 3/20 0.34
▸ AR P10275 6/20 0.33
▸ PGR P06401 1/20 0.33
▸ KCNA5 P22460 1/20 0.31
▸ HPGD P15428 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL31009573 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1CFTRARPGR
SCHEMBL31009677 0.84 EP300 (0.37) ALDH1A1L3MBTL1CFTRARPGR
SCHEMBL30037309 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1CFTRARHPGD
SCHEMBL31009665 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1CFTRARHPGD
SCHEMBL31009595 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1CFTRARHPGD
SCHEMBL31009656 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1ARHPGDCYP1A2
SCHEMBL31009657 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1ARHPGDCYP1A2
SCHEMBL31009606 0.76 CREBBP (0.39) ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31009599 0.76 CREBBP (0.39) ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31009616 0.76 KDM5A (0.40) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246946-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-07-25 — — 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-20240246946-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 ALDH1A1 693/4885L3MBTL1 3434/4885CFTR 1/4885

“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.

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