SCHEMBL20965289

SCHEMBL20965289

Cc1cc(CSc2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PKM P14618 1/20 0.67
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.51
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
IDE P14735 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A5 Q9Y345 2/20 0.47
SLC6A9 P48067 1/20 0.47
PAX8 Q06710 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
SCHEMBL20964553 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964620 0.89 KMT2A (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964599 0.87 LMNA (0.59) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964591 0.84 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964557 0.84 LMNA (0.67) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20965377 0.83 LMNA (0.58) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964665 0.83 LMNA (0.62) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964637 0.82 LMNA (0.60) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20964636 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20964683 0.80 LMNA (0.53) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A

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-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 ALDH1A1 141/4885SMN1; SMN2 263/4885MAPT 1626/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 ALDH1A1 870/4885SMN1; SMN2 2477/4885MAPT 4673/4885

“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.