SCHEMBL26115754

SCHEMBL26115754

O=C(O)NCc1ccc(C(=O)CBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.55
▸ PTPN1 P18031 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL13222201 0.84 ALDH1A1 (0.70) GSK3BPTPN1ALDH1A1KMT2APOLB
SCHEMBL11533429 0.82 CYP2C9 (0.65) ALDH1A1KMT2APOLBMAPTRAB9A
SCHEMBL26113192 0.81 CYP1A2 (0.58) ALDH1A1KMT2APOLBMAPTRAB9A
SCHEMBL17978815 0.80 CYP2C9 (0.55) KMT2ARAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL7314826 0.80 KMT2A (0.71) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL16162038 0.77 EPHX2 (0.58) KMT2APOLBMAPTCYP1A2CYP2D6
SCHEMBL22833169 0.77 KMT2A (0.52) ALDH1A1KMT2APOLBMAPTRAB9A
SCHEMBL26112506 0.77 KMT2A (0.61) ALDH1A1KMT2APOLBMAPTRAB9A
SCHEMBL205280 0.77 GSK3B (0.80) GSK3BPTPN1RAB9AHDAC1HDAC6
SCHEMBL1694370 0.76 L3MBTL1 (0.62) ALDH1A1KMT2APOLBMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2023-10-12 — — 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 (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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 GSK3B 3565/4885PTPN1 4411/4885ALDH1A1 702/4885

“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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