SCHEMBL19853363

SCHEMBL19853363

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.57
▸ MAPK14 Q16539 2/20 0.56
▸ LMNA P02545 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LSS P48449 1/20 0.49
▸ PLAAT3 P53816 1/20 0.48
▸ PLAAT5 Q96KN8 1/20 0.48
▸ PLAAT2 Q9NWW9 1/20 0.48
▸ PLAAT4 Q9UL19 1/20 0.48
▸ MLYCD O95822 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ EPHX2 P34913 1/20 0.47

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 0.85 TP53 (0.54) RAB9AMAPTMEN1ALDH1A1GAA
SCHEMBL21678101 0.84 ALDH1A1 (0.56) LMNARAB9AMEN1ALDH1A1KMT2A
SCHEMBL11979758 0.83 MAPK14 (0.76) MAOAMAPK14LMNARAB9AMAPT
SCHEMBL21678103 0.81 PLAAT3 (0.58) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL19465495 0.81 SMN1; SMN2 (0.61) MAOAMAPK14LMNARAB9AMAPT
SCHEMBL2634030 0.77 MAPK14 (0.76) MAOAMAPK14LMNARAB9ALSS
SCHEMBL19465638 0.77 LMNA (0.61) MAOALMNARAB9AMAPTMEN1
SCHEMBL28499154 0.75 ALDH1A1 (0.69) MAPK14LMNARAB9AMAPTMEN1
SCHEMBL4617209 0.74 PTPN1 (0.54) MAOAMAPK14LMNARAB9AMAPT
SCHEMBL16482894 0.73 MAOA (1.00) MAOAHDAC2HDAC6

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 MAOA 2805/4885MAPK14 1727/4885LMNA 734/4885
US-10428323-B2 Reagents and methods for esterification VIP, BCR, TMPO MAOA 2897/4885MAPK14 1836/4885LMNA 703/4885
US-20180037881-A1 Reagents and Methods for Esterification VIP, BCR, TMPO MAOA 2897/4885MAPK14 1836/4885LMNA 703/4885
US-20200032238-A1 Reagents and Methods for Esterification VIP, BCR, TMPO MAOA 2805/4885MAPK14 1727/4885LMNA 734/4885

“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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