SCHEMBL10114441

SCHEMBL10114441

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2SCc2ccccc2)n(C)c1=O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ CYP1A2 P05177 1/20 0.68
▸ ALOX15 P16050 1/20 0.65
▸ TP53 P04637 3/20 0.64
▸ RXFP1 Q9HBX9 4/20 0.62
▸ PORCN Q9H237 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ KMT2A Q03164 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ MAPK1 P28482 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ TRPA1 O75762 1/20 0.56

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
SCHEMBL10114273 0.88 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL12584429 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL10114051 0.85 CYP1A2 (0.76) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL10114474 0.81 CYP1A2 (1.00) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL4533692 0.81 RXFP1 (0.78) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL10113906 0.81 RXFP1 (0.84) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL12584350 0.81 CYP1A2 (0.78) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL10114247 0.80 CYP1A2 (0.77) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL10114344 0.80 LMNA (0.61) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15
SCHEMBL10114488 0.79 ALOX15 (1.00) ALDH1A1SMN1; SMN2NPSR1CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 — — US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 — — US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 — — US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 — — US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 — — US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 — — US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 — — US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 — — US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 — — US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 — — US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 — — US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 — — US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 — — US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 — — 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 (4 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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 ALDH1A1 3257/4885SMN1; SMN2 3980/4885NPSR1 715/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885SMN1; SMN2 365/4885NPSR1 401/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ALDH1A1 313/4885SMN1; SMN2 1002/4885NPSR1 73/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885SMN1; SMN2 365/4885NPSR1 401/4885

“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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