SCHEMBL9018908

SCHEMBL9018908

O=Cc1ccccc1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TBXA2R P21731 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGDR Q13258 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MPO P05164 1/20 0.39
PTGER4 P35408 2/20 0.39
PTGFR P43088 2/20 0.39
MAOA P21397 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
SCHEMBL31588310 0.84 LMNA (0.52) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL872046 0.84 LMNA (0.52) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL20767519 0.83 SLC5A1 (0.39) ALDH1A1HTTSMN1; SMN2TBXA2RPTGER3
SCHEMBL6853616 0.82 MEN1 (0.46) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL17508277 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNATDP1MPO
SCHEMBL5188628 0.81 HTR2A (0.46) ALDH1A1MPOPKM
SCHEMBL7453987 0.81 LMNA (0.60) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL29581028 0.81 LMNA (0.44) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL12869653 0.81 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2MEN1LMNA
SCHEMBL11464004 0.81 MEN1 (0.44) ALDH1A1HTTSMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2025-08-14 US disclosed
US-12269798-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2025-04-08 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
US-5543573-A INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0462456-B1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO LTD (JP) 1996-05-08 EP disclosed
EP-0462456-A1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1991-12-27 EP 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-12269798-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 ALDH1A1 3322/4885HTT 2769/4885SMN1; SMN2 4026/4885
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 ALDH1A1 3322/4885HTT 2769/4885SMN1; SMN2 4026/4885
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 ALDH1A1 3289/4885HTT 2700/4885SMN1; SMN2 4009/4885
US-11028041-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 ALDH1A1 3289/4885HTT 2700/4885SMN1; SMN2 4009/4885
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 ALDH1A1 3289/4885HTT 2700/4885SMN1; SMN2 4009/4885

“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.