SCHEMBL3114233

SCHEMBL3114233

CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
CHKA P35790 3/20 0.52
HTR6 P50406 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP1 P09874 1/20 0.45
TNK2 Q07912 1/20 0.45
TNK1 Q13470 1/20 0.45

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
SCHEMBL30059168 0.87 SMN1; SMN2 (0.62) SMN1; SMN2CHKAALDH1A1KDM4ETDP1
SCHEMBL546902 0.87 SMN1; SMN2 (0.62) SMN1; SMN2CHKAALDH1A1KDM4ETDP1
SCHEMBL5525074 0.87 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ETDP1POLB
SCHEMBL571956 0.86 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1KDM4ETDP1POLB
SCHEMBL2952071 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL6609562 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL3103670 0.83 SMN1; SMN2 (0.56) SMN1; SMN2CHKAALDH1A1KDM4ELMNA
SCHEMBL29710198 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL3117941 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CHKAHTR6ALDH1A1KDM4E
SCHEMBL28088851 0.83 SMN1; SMN2 (0.56) SMN1; SMN2CHKAALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 WO disclosed
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US disclosed
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US disclosed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US disclosed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US disclosed
EP-2170871-A2 PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2009154645-A1 METHODS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM TUMORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-23 WO disclosed
US-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors SMITHKLINE BEECHAM CORPORATION 2009-01-01 US disclosed
US-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors SMITHKLINE BEECHAM CORPORATION 2009-01-01 US disclosed
WO-2009002916-A2 PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO 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-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors TUBB3, TUBB6, TUBB SMN1; SMN2 815/4885CHKA 604/4885HTR6 1756/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 SMN1; SMN2 1161/4885CHKA 3829/4885HTR6 2251/4885
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes TPMT, TBKBP1, TYMP SMN1; SMN2 1376/4885CHKA 2237/4885HTR6 347/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 SMN1; SMN2 3123/4885CHKA 793/4885HTR6 3252/4885

“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.