SCHEMBL3962514

SCHEMBL3962514

[NaH].c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
BTK Q06187 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
DCUN1D1 Q96GG9 3/20 0.39
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPK1 P28482 1/20 0.39
NPY5R Q15761 1/20 0.38
SCN2A Q99250 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4950 0.98 NR1H2 (0.43) NR1H2NR1H3BTKALDH1A1KDM4E
SCHEMBL28994299 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
Selenium SCHEMBL30289776 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
SCHEMBL2954445 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
Bromide SCHEMBL8589844 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
Water SCHEMBL7382263 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
SCHEMBL10635278 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
SCHEMBL29402664 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
SCHEMBL22498864 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27778125 0.95 NR1H2 (0.42) NR1H2NR1H3BTKALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105898-B Synthesis method of 5-phenyltetrazole ultrafine powder 河北凯诺中星科技有限公司 2022-12-13 CN claimed
CN-114105898-A Synthesis method of 5-phenyltetrazole ultrafine powder 河北诺加生物科技有限公司 2022-03-01 CN claimed
CN-114105898-B Synthesis method of 5-phenyltetrazole ultrafine powder 河北凯诺中星科技有限公司 2022-12-13 CN disclosed
CN-114105898-B Synthesis method of 5-phenyltetrazole ultrafine powder 河北凯诺中星科技有限公司 2022-12-13 CN disclosed
CN-114105898-A Synthesis method of 5-phenyltetrazole ultrafine powder 河北诺加生物科技有限公司 2022-03-01 CN disclosed
CN-114105898-A Synthesis method of 5-phenyltetrazole ultrafine powder 河北诺加生物科技有限公司 2022-03-01 CN disclosed
CN-106749066-A A kind of 5- phenyl tetrazole production technology 宁夏际华环境安全科技有限公司 2017-05-31 CN disclosed
CN-106749066-A A kind of 5- phenyl tetrazole production technology 宁夏际华环境安全科技有限公司 2017-05-31 CN disclosed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US disclosed
EP-2665722-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2013-11-27 EP disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 US disclosed
WO-2012098048-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-07-26 WO disclosed
EP-2049002-A2 WET MOP WITH MULTI-LAYER SUBSTRATE Kimberly-Clark Worldwide, Inc. (US) 2009-04-22 EP disclosed
WO-2008010106-A2 WET MOP WITH MULTI-LAYER SUBSTRATE KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-01-24 WO disclosed
EP-0994881-B1 ORTHO-METALATION PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED-1-(TETRAZOL-5-YL)BENZENES ZAMBON SPA (IT) 2002-09-18 EP disclosed
US-6271375-B1 ESPECIALLY PREPARATION OF TASOSARTAN; GRIGNARD REAGENTS ZAMBON GROUP S.P.A. (IT) 2001-08-07 US disclosed
EP-0994881-A1 ORTHO-METALATION PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED-1-(TETRAZOL-5-YL)BENZENES ZAMBON GROUP S.p.A. (IT) 2000-04-26 EP disclosed
WO-1999001459-A1 ORTHO-METALATION PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED-1-(TETRAZOL-5-YL)BENZENES ZAMBON GROUP S.P.A. (IT) 1999-01-14 WO disclosed
US-4774266-A THERMOPLASTIC BLENDS WITH IMPACT STRENGTH OLIN CORPORATION (US) 1988-09-27 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 (1 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-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES STS, DHCR7, TST NR1H2 102/4885NR1H3 75/4885BTK 1121/4885

“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.