SCHEMBL31009595

SCHEMBL31009595

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ EP300 Q09472 5/20 0.34
▸ CFTR P13569 2/20 0.34
▸ RET P07949 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ 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
▸ 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
SCHEMBL30037309 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1EP300CFTRRET
SCHEMBL31009665 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1EP300CFTRRET
SCHEMBL31009573 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1CFTRSMN1; SMN2HPGD
SCHEMBL31009581 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1CFTRSMN1; SMN2HPGD
SCHEMBL31009677 0.80 EP300 (0.37) ALDH1A1L3MBTL1EP300CFTRCREBBP
SCHEMBL31009656 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1EP300HPGDKDM4E
SCHEMBL31009657 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1EP300HPGDKDM4E
SCHEMBL31009616 0.77 KDM5A (0.40) ALDH1A1L3MBTL1EP300GLAMAPK1
SCHEMBL31009597 0.77 KDM5A (0.40) ALDH1A1L3MBTL1EP300GLAMAPK1
SCHEMBL31009606 0.77 CREBBP (0.39) ALDH1A1L3MBTL1NPC1RAB9ACREBBP

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 3434/4885EP300 369/4885

“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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