SCHEMBL18130355

SCHEMBL18130355

Cc1ccccc1C(=[N+]=[N-])C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
MYC P01106 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HTT P42858 2/20 0.40
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL991197 0.82 ERCC5 (0.50) NPC1RAB9AHPGDMYCALDH1A1
SCHEMBL28319862 0.78 NPC1 (0.44) NPC1RAB9AHPGDALDH1A1ERCC5
SCHEMBL7051581 0.75 RAB9A (0.47) NPC1RAB9AHPGDMYCALDH1A1
SCHEMBL28319996 0.75 TSHR (0.50) NPC1RAB9AALDH1A1HTTTDP1
SCHEMBL6099 0.74 ALDH1A1 (0.56) NPC1RAB9AHPGDMYCALDH1A1
SCHEMBL1558192 0.74 ALDH1A1 (0.56) NPC1RAB9AHPGDMYCALDH1A1
SCHEMBL28463115 0.74 HPGD (0.40) NPC1RAB9AHPGDALDH1A1ERCC5
SCHEMBL9091946 0.74 CYP2C19 (0.50) HPGDALDH1A1TDP1KMT2APOLB
SCHEMBL27449528 0.73 SMN1; SMN2 (0.42) NPC1RAB9AHPGDMYCERCC5
SCHEMBL3870822 0.73 ALDH1A1 (0.54) NPC1RAB9AHPGDMYCALDH1A1

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 6 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
US-9790483-B2 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-17 US disclosed
US-20160297752-A1 REAGENTS AND METHODS FOR ESTERIFICATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-13 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 (5 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 NPC1 783/4885RAB9A 1621/4885HPGD 3262/4885
US-10428323-B2 Reagents and methods for esterification VIP, BCR, TMPO NPC1 724/4885RAB9A 1620/4885HPGD 3185/4885
US-20180037881-A1 Reagents and Methods for Esterification VIP, BCR, TMPO NPC1 724/4885RAB9A 1620/4885HPGD 3185/4885
US-20160297752-A1 REAGENTS AND METHODS FOR ESTERIFICATION VIP, BCR, TMPO NPC1 724/4885RAB9A 1620/4885HPGD 3185/4885
US-20200032238-A1 Reagents and Methods for Esterification VIP, BCR, TMPO NPC1 783/4885RAB9A 1621/4885HPGD 3262/4885

“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.