SCHEMBL19853442

SCHEMBL19853442

N=C(C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MITF O75030 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HDAC1 Q13547 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

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
SCHEMBL19465495 0.89 SMN1; SMN2 (0.61) TP53KMT2AALDH1A1MEN1MAPT
SCHEMBL21678101 0.89 ALDH1A1 (0.56) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL21678103 0.89 PLAAT3 (0.58) KMT2AALDH1A1MEN1MAPTHDAC6
SCHEMBL19465638 0.85 LMNA (0.61) TP53KMT2AALDH1A1MEN1MAPT
SCHEMBL19853363 0.85 MAOA (0.57) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL3056874 0.82 KMT2A (0.71) KMT2AALDH1A1MEN1MAPTMITF
SCHEMBL8673184 0.81 ALDH1A1 (0.59) TP53KMT2AALDH1A1MEN1MAPT
SCHEMBL12181478 0.79 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL1867492 0.78 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTHDAC6
SCHEMBL957078 0.78 TP53 (0.54) TP53KMT2AALDH1A1MEN1MAPT

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 4 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
US-10428323-B2 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-10-01 — — US disclosed
US-20180037881-A1 Reagents and Methods for Esterification NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 — — 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 (4 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 TP53 1964/4885KMT2A 4234/4885ALDH1A1 1235/4885
US-10428323-B2 Reagents and methods for esterification VIP, BCR, TMPO TP53 1886/4885KMT2A 4430/4885ALDH1A1 1103/4885
US-20180037881-A1 Reagents and Methods for Esterification VIP, BCR, TMPO TP53 1886/4885KMT2A 4430/4885ALDH1A1 1103/4885
US-20200032238-A1 Reagents and Methods for Esterification VIP, BCR, TMPO TP53 1964/4885KMT2A 4234/4885ALDH1A1 1235/4885

“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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