SCHEMBL21678101

SCHEMBL21678101

N=C(C(=O)NCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ PLA2G1B P04054 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ CXCR4 P61073 1/20 0.49
▸ THRB P10828 1/20 0.48

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
SCHEMBL19853442 0.89 TP53 (0.54) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL21678103 0.84 PLAAT3 (0.58) ALDH1A1LMNAKMT2AMEN1CYP2C19
SCHEMBL19465495 0.84 SMN1; SMN2 (0.61) ALDH1A1RAB9ANPC1LMNAPOLB
SCHEMBL19853363 0.84 MAOA (0.57) ALDH1A1RAB9ALMNAKMT2AMEN1
SCHEMBL19465638 0.81 LMNA (0.61) ALDH1A1RAB9APLA2G1BATG4BNPC1
SCHEMBL5230740 0.80 HDAC6 (0.72) ALDH1A1RAB9ANPC1LMNAKMT2A
SCHEMBL21390031 0.80 RAB9A (0.55) ALDH1A1RAB9APLA2G1BATG4BNPC1
SCHEMBL20911008 0.76 RAB9A (0.75) ALDH1A1RAB9APLA2G1BATG4BNPC1
SCHEMBL18415459 0.75 LMNA (0.66) ALDH1A1RAB9APLA2G1BATG4BNPC1
SCHEMBL3056874 0.75 KMT2A (0.71) ALDH1A1RAB9ANPC1LMNAPOLB

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-11180748-B2 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-11-23 — — US disclosed
US-20200032238-A1 Reagents and Methods for Esterification WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-01-30 — — 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-11180748-B2 Reagents and methods for esterification VIP, BCR, TMPO ALDH1A1 1235/4885RAB9A 1621/4885PLA2G1B 3436/4885
US-20200032238-A1 Reagents and Methods for Esterification VIP, BCR, TMPO ALDH1A1 1235/4885RAB9A 1621/4885PLA2G1B 3436/4885

“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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