SCHEMBL16984369

SCHEMBL16984369

CC(C)NC(C)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.41
▸ HTT P42858 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10315779 0.85 ADRB2 (0.56) HPGDADRB2AKT1ALDH1A1LMNA
SCHEMBL10087172 0.85 ADRB2 (0.56) HPGDADRB2AKT1ALDH1A1LMNA
SCHEMBL8278972 0.82 SMN1; SMN2 (0.41) SIGMAR1KDM4ELMNASMN1; SMN2
SCHEMBL8234555 0.80 CYP1A2 (0.50) SIGMAR1AKT1ALDH1A1GAA
SCHEMBL10315763 0.80 HTT (0.46) HTTCYP2C9ADRB2IDO1NPC1
SCHEMBL10087169 0.80 POLB (0.47) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10087160 0.80 POLB (0.47) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10087171 0.80 HTT (0.46) HTTCYP2C9ADRB2IDO1NPC1
SCHEMBL14561176 0.80 HTT (0.46) HTTCYP2C9ADRB2IDO1NPC1
SCHEMBL10087159 0.80 POLB (0.47) HPGDALDH1A1KDM4ELMNASMN1; SMN2

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-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 — — 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 TYR 432/4885HTT 4044/4885CYP2C9 126/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT TYR 80/4885HTT 3666/4885CYP2C9 112/4885

“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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