SCHEMBL16675457

SCHEMBL16675457

Nn1c(S)nnc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 5/20 0.42
PTGS2 P35354 3/20 0.41
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PIM1 P11309 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL1065240 0.82 HPGD (0.47) KMT2AKDM4EALDH1A1PTGS2HPGD
SCHEMBL29315637 0.81 KMT2A (0.45) KMT2AALDH1A1HPGDGAANPC1
SCHEMBL4349728 0.81 KMT2A (0.45) KMT2AKDM4EALDH1A1PTGS2HPGD
SCHEMBL19328339 0.81 KMT2A (0.45) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL3988594 0.80 KMT2A (0.41) KMT2AALDH1A1PTGS2HPGDNPSR1
SCHEMBL3990526 0.80 KDM4E (0.41) KMT2AKDM4EALDH1A1PTGS2HPGD
SCHEMBL3352182 0.80 KMT2A (0.72) KMT2AALDH1A1HPGDTSHRGAA
SCHEMBL1164883 0.78 KMT2A (0.47) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL392037 0.77 ALDH1A1 (0.44) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL13828022 0.77 MAPT (0.52) ALDH1A1PTGS2HPGDTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-11576901-B2 Methods for treating viral infection HOWARD UNIVERSITY (US) 2023-02-14 US disclosed
US-20220211673-A1 METHODS FOR TREATING AGAINST VIRUSES HOWARD UNIVERSITY (US) 2022-07-07 US disclosed
US-20220168277-A1 DRUG INHIBITOR AGAINST MIGRATION AND INVASION OF CANCER CELLS AND METHODS OF TREATING AGAINST METASTASIS OF CANCER CELLS HOWARD UNIVERSITY (US) 2022-06-02 US disclosed
US-20200297699-A1 METHODS FOR TREATING VIRAL INFECTION GEORGETOWN UNIVERSITY 2020-09-24 US disclosed
WO-2017165885-A1 METHODS FOR TREATING VIRAL INFECTION ULLAH HEMAYET (US) 2017-09-28 WO disclosed
CN-105001241-A S-triazolo-thiadiazole and thiadiazine derivatives, preparation method and application thereof INST MED BIOTECHNOLOGY CAMS 2015-10-28 CN disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 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 (6 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-11737462-B2 Methods for modulating plant response to environmentally-induced stress RACK1, ROS1, HSF1 KMT2A 2063/4885KDM4E 2234/4885ALDH1A1 2652/4885
US-20220211673-A1 METHODS FOR TREATING AGAINST VIRUSES EIF2AK2, RPL41, EIF4E KMT2A 3736/4885KDM4E 2842/4885ALDH1A1 4272/4885
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS RACK1, ROS1, HSF1 KMT2A 2063/4885KDM4E 2234/4885ALDH1A1 2652/4885
US-11576901-B2 Methods for treating viral infection RPL5, RPL35, RPL17 KMT2A 3563/4885KDM4E 3058/4885ALDH1A1 3078/4885
US-20200297699-A1 METHODS FOR TREATING VIRAL INFECTION RPL5, RPL35, RPL17 KMT2A 3563/4885KDM4E 3058/4885ALDH1A1 3078/4885
US-20220168277-A1 DRUG INHIBITOR AGAINST MIGRATION AND INVASION OF CANCER CELLS AND METHODS OF TREATING AGAINST METASTASIS OF CANCER CELLS TUBB1, TTBK1, MKI67 KMT2A 3100/4885KDM4E 3947/4885ALDH1A1 774/4885

“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.