SCHEMBL17952170

SCHEMBL17952170

Cc1cccc(-c2ccccc2)c1N1C=C(C#N)N(C)[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GRIA2 P42262 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 5/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ TSHR P16473 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL21361162 0.87 TSHR (0.36) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL17952618 0.82 MGLL (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17952359 0.81 ALDH1A1 (0.33) ALDH1A1KDM4ESMN1; SMN2GRIA2GRIA4
SCHEMBL17952470 0.77 TSHR (0.35) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17952296 0.77 HTR2A (0.30) —
SCHEMBL17952197 0.76 GRIA2 (0.34) ALDH1A1KDM4ESMN1; SMN2GRIA2GRIA4
SCHEMBL17952620 0.76 FAAH (0.34) ALDH1A1KDM4ESMN1; SMN2GRIA2GRIA4
SCHEMBL17952158 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL17952619 0.75 ALDH1A1 (0.33) ALDH1A1KDM4EGRIA2GRIA4USP30
SCHEMBL17952167 0.75 USP30 (0.33) ALDH1A1KDM4EGRIA2GRIA4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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 (2 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-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885SMN1; SMN2 3820/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885SMN1; SMN2 3820/4885

“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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