SCHEMBL30337582

SCHEMBL30337582

O=C1C2CN(Cc3ccccc3)CCN2C(=O)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TACR1 P25103 5/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL30337246 0.94 ENPP2 (0.47) SMN1; SMN2TACR1KMT2AHTR1ATHRB
SCHEMBL24145803 0.92 ENPP2 (0.48) HTR1ATSHRTHRBL3MBTL1CYP2D6
SCHEMBL30336976 0.90 KMT2A (0.55) SIGMAR1KMT2AHTR1A
SCHEMBL26092955 0.90 SIGMAR1 (0.43) SMN1; SMN2TACR1SIGMAR1KMT2AHTR1A
SCHEMBL30337155 0.88 TACR1 (0.43) SMN1; SMN2TACR1KMT2AHTR1ATHRB
SCHEMBL30337300 0.86 HTR1A (0.45) SMN1; SMN2KMT2AHTR1AHPGDTHRB
SCHEMBL30337505 0.85 ALDH1A1 (0.46) SMN1; SMN2KMT2ACHRM2CHRM3POLB
SCHEMBL30337148 0.85 FAAH (0.46) —
SCHEMBL30337060 0.84 KMT2A (0.49) KMT2AHTR1A
SCHEMBL24938893 0.84 CYP19A1 (0.43) KMT2AHTR1APOLB

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-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 — — US disclosed
CN-115916206-A Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same 治愈医药社株式会社 2023-04-04 — — CN 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-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 SMN1; SMN2 3791/4885TACR1 2264/4885SIGMAR1 3406/4885

“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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