SCHEMBL21311170

SCHEMBL21311170

COc1cccc(F)c1C(=O)Nc1ccccc1C(=O)NCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KMT2A Q03164 4/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ BCL3 P20749 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL21311145 0.92 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ARXFP1KDM4EMAPT
SCHEMBL21311447 0.85 TSHR (0.64) SMN1; SMN2KMT2ARXFP1KDM4EMAPT
SCHEMBL21311153 0.79 LPAR1 (0.54) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL10330502 0.78 KCNA3 (0.70) LMNAALDH1A1HPGDNPC1POLB
SCHEMBL24801414 0.76 TAAR1 (0.57) SMN1; SMN2KMT2AALDH1A1HPGDTSHR
SCHEMBL24598461 0.76 POLB (0.50) SMN1; SMN2KMT2ALMNAHPGDNPC1
SCHEMBL10330509 0.75 LMNA (0.58) SMN1; SMN2KMT2ALMNAMAPTALDH1A1
SCHEMBL1918788 0.74 KDM4E (0.64) SMN1; SMN2KMT2ALMNAKDM4EMAPT
SCHEMBL8671118 0.73 KMT2A (0.68) KMT2ARXFP1LMNAMAPTALDH1A1
SCHEMBL24571699 0.72 KMT2A (0.60) SMN1; SMN2KMT2ALMNAKDM4EMAPT

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 SMN1; SMN2 959/4885KMT2A 2961/4885RXFP1 4748/4885

“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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