SCHEMBL6709570

SCHEMBL6709570

[c]1[nH]c2ccccc2c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CALM1 P0DP23 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.37
HPGD P15428 3/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PARP1 P09874 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.34
AHR P35869 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL3086790 0.86 MEN1 (0.38) KMT2AMEN1MAPTSMN1; SMN2HTR6
SCHEMBL3096966 0.86 KIF11 (0.44) KMT2AMEN1KDM4EHPGDMAPT
SCHEMBL3085524 0.82 SLC6A4 (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3090776 0.82 LTA4H (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3084029 0.82 KIF11 (0.41) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL7404828 0.76 HTR2A (0.36) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL3381548 0.76 ALDH1A1 (0.36) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL5327645 0.76 ALDH1A1 (0.36) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL640081 0.76 KIF11 (0.39) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1641591 0.74 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648224-A1 CONFORMATIONALLY RESTRAINED PEPTIDE ANALOGS AS ANTIPLATELET AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-04-19 EP claimed
WO-1993024520-A1 CONFORMATIONALLY RESTRAINED PEPTIDE ANALOGS AS ANTIPLATELET AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-12-09 WO claimed
US-11730752-B2 Use of NMN for the prevention and/or treatment of joint pain induced by physical activity, and corresponding compositions NUVAMID SA (CH) 2023-08-22 US disclosed
US-20230090372-A1 SMALL MOLECULE INHIBITORS OF VOLTAGE-GATED SODIUM CHANNEL 1.7 AND METHODS OF USING SAME DUKE UNIVERSITY (US) 2023-03-23 US disclosed
US-20230060438-A1 USE OF NMN FOR THE PREVENTION AND/OR TREATMENT OF JOINT PAIN INDUCED BY PHYSICAL ACTIVITY, AND CORRESPONDING COMPOSITIONS NUVAMID SA (CH) 2023-03-02 US disclosed
WO-2021119157-A1 SMALL MOLECULE INHIBITORS OF VOLTAGE-GATED SODIUM CHANNEL 1.7 AND METHODS OF USING SAME DUKE UNIVERSITY (US) 2021-06-17 WO disclosed
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0648224-A1 CONFORMATIONALLY RESTRAINED PEPTIDE ANALOGS AS ANTIPLATELET AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-04-19 EP disclosed
WO-1993024520-A1 CONFORMATIONALLY RESTRAINED PEPTIDE ANALOGS AS ANTIPLATELET AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-12-09 WO 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 (3 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-20230060438-A1 USE OF NMN FOR THE PREVENTION AND/OR TREATMENT OF JOINT PAIN INDUCED BY PHYSICAL ACTIVITY, AND CORRESPONDING COMPOSITIONS NNT, NAMPT, NMUR1 KMT2A 2574/4885MEN1 1575/4885CALM1 600/4885
US-11730752-B2 Use of NMN for the prevention and/or treatment of joint pain induced by physical activity, and corresponding compositions NNT, NAMPT, NMUR1 KMT2A 2574/4885MEN1 1575/4885CALM1 600/4885
US-20230090372-A1 SMALL MOLECULE INHIBITORS OF VOLTAGE-GATED SODIUM CHANNEL 1.7 AND METHODS OF USING SAME SCN7A, TRPC7, TRPV1 KMT2A 3206/4885MEN1 3269/4885CALM1 1278/4885

“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.